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*1985 [https://www.jstor.org/stable/30090666 Jeremiah Hogan and University College Dublin] by Thomas E. Nevin, in Studies, An Irish Quarterly Review published by Irish Province of the Society of Jesus, Vol 74, No 295, pp. 325–335 * 1931 [http://iopscience.iop.org/article/10.1088/0959-5309/43/5/308/meta The spectrum of barium fluoride in the extreme red and near infra-red] by Thomas E Nevin, Proceedings of the Physical Society, Vol 43, No 5. * 1930 [https://www.jstor.org/stable/95271?seq=1#page_scan_tab_contents The Effect of Water Vapour on the Diffusion Coefficients and Mobilities of Ions in the Air] by J. J. Nolan and T. E. Nevin, Proceedings of the Royal Society, London, 127, 155–174.

Spectroscopists

* W. de W. Abney and E. R. Festing, [https://www.jstor.org/stable/114812 Intensity of Radiation through Turbid Media], Proceedings of the Royal Society of London, Volume 40, pages 378–380, 1886. Published by The Royal Society. * W. de W. Abney and E. R. Festing, [https://www.jstor.org/stable/115174 Colour Photometry. Part III].Proceedings of the Royal Society of London, Volume 50, pages 369–372, 1 January 1892. Published by The Royal Society.

Spectroscopists

Jorgensen earned a bachelors degree from Princeton University in 1970 and a Ph.D. from Harvard University in 1975 in Chemical Physics while studying under Elias J. Corey. Jorgensen then worked at Purdue University from 1975 to 1990 first as an assistant professor and then later as a Professor. He joined the Yale faculty in 1990 and has remained there since. Jorgensens work has been recognized by many awards including election to the American Academy of Arts and Sciences, the National Academy of Sciences, and the International Academy of Quantum and Molecular Sciences. He has also received the ACS Award for Computers in Chemical and Pharmaceutical Research, the ACS Hildebrand Award, the Tetrahedron Prize, and Arthur C. Cope Award.

Computational Chemists

William Pendry Bidelman was born on September 25, in 1918 in Los Angeles, California. Bidelman's father, the son of Howard Bidelman and Julia Pendry, had the same name but Bidelman did not use the designation "Jr.," after college. His father died suddenly when he was four, and subsequently Bidelman moved with his mother to Grand Forks, North Dakota where his grandparents (Architect Joseph Bell DeRemer and his wife Elizabeth) raised him. As a boy, Bidelman wrote to Alfred H. Joy at Mount Wilson, to ask how to become an astronomer. They later served together on the Astronomical Society of the Pacific Publications Committee in 1955 and 1956. He met his future wife, Verna Shirk, in grade school and became "smitten" with her at age 10. In a Grand Forks Central High School competition, Bidelman's tribute to North Dakota was judged best, and was read on October 20, 1935, at the Washington Memorial Chapel at Valley Forge, Pennsylvania, an annual event for essays by high school students about their states. In his essay, Bidelman praised North Dakota for its plains "covered with an ocean of wheat, rolling gently in the soft summer breezes", its rolling prairies, mighty rivers; International Peace Garden "in the heart of this continent", its industry, agriculture, and its "scores of untold secrets which have not been discovered to this day". He finished by quoting state poet James W. Foley, by writing: "North Dakota, hail to you!" At a 1977 IAU Symposium honoring the memory of Henry Norris Russell, Bidelman recalled reading during his high school years the "fascinating and inspiring" monthly articles Russell wrote for Scientific American. Saying it was "an important part of my early scientific education", Bidelman suggested they might be worth reprinting. Asked to make some remarks at that symposium, Bidelman said he had little personal knowledge of Russell, but could believe the comments he had heard that Russell was both a great scientist and a great human being, because he had found it to be true of most other influential astronomers. In addition to Alfred Joy, Bidelman recalled "with great pleasure" Bart Bok, Cecilia Payne-Gaposchkin and Martin Schwarzschild from Harvard, and "the whole motley Yerkes crew: Struve, Greenstein, Henyey, Chandrasekhar, Kuiper and all the rest", and stated he marveled at his youthful contacts with them and their passionate devotion to science and to life. He ended his speech by saying: Among Bidelmans many interests were baseball, philately, music, and square dancing. His wife, Verna Pearl Shirk was born in 1918 in Grand Forks, North Dakota. She graduated from the University of North Dakota, and was a teacher and a poet who used her time for family, friends, and church work. The Bidelmans had four children, and also grandchildren and great-grandchildren. One daughter died in 2000, and Verna Bidelman died in 2009. They were married 69 years. Bidelman died at 92 on May 3, 2011, in Tennessee.

Spectroscopists

Dirks was the first graduate student in the laboratory of Niles Pierce at Caltech. His dissertation was entitled "Analysis, design, and construction of nucleic acid devices". Dirks' work in computational chemistry involved creating algorithms and computational tools for the analysis of nucleic acid thermodynamics and nucleic acid structure prediction. Dirks wrote the initial code for the NUPACK suite of nucleic acid design and analysis tools, which generates base pairing probabilities through calculation of the statistical partition function. Unlike other structure prediction tools, NUPACK is capable of handling an arbitrary number of interacting strands rather than being limited to one or two. Dirks also developed an algorithm capable of efficiently handling certain types of pseudoknots, a class of structure that is more computationally intensive to analyze, although NUPACK only implements this ability for single RNA strands. His experimental work pioneered the hybridization chain reaction method, the first demonstration of the self-assembly of nucleic acid structures conditional on a molecular input. The method arose from attempts to use DNA hairpins as "fuel" for DNA machines, but Dirks and Pierce realized that they could instead be used for signal amplification, and when used in conjunction with an aptamer, as a biosensor. As an enzyme-free, isothermal method, it later found application as the basis of an immunoassay method, for in situ hybridization imaging of gene expression, and as the basis for catalytic, isothermal self-assembly of DNA nanostructures. Dirks then worked at D. E. Shaw Research in Manhattan to develop methods for computational protein structure prediction for the design of new drugs, beginning in 2006.

Computational Chemists

Martin completed a Bachelor of Pharmacy at the Victorian College of Pharmacy in Melbourne from 1979 to 1981, receiving the Gold Medal for the best student in the B Pharm course. After spending a year as a trainee pharmacist, she completed a Masters in Pharmacy, supervised by Professor Peter Andrews, on the application of computational chemistry to opioid analgesics, which led to her first scientific publications. She left Australia in 1986 to undertake a DPhil at the University of Oxford supported by a Royal Commission for the Exhibition of 1851 Science Research Scholarship and four other scholarships and bursaries. Under the guidance of Professors Peter Goodford and Louise Johnson, her research used protein crystallography to design glycogen phosphorylase inhibitors as potential anti-diabetic compounds. Martin paid tribute to Louise Johnson's positive influence as a woman in science, in a 2012 memorial. In 2015, Martin completed the London Business School four-week Senior Executive Programme as part of a cohort of 50 industry, government, not-for-profit and academic leaders from around the world. In 2023, Martin completed an online Undergraduate Certificate in Family History from the [https://www.google.com/aclk?sa=l&ai=DChcSEwiW9uH_j5iEAxVWCIMDHf6GDm4YABACGgJzZg&ase=2&gclid=Cj0KCQiAzoeuBhDqARIsAMdH14GwjXjh23mHhvc85Ylj-BUMfkUAIDjCBBr3G0RiJafu7v66pH5Yn9IaAjHMEALw_wcB&ei=PuPCZd6WF6704-EP1cOiwAM&sig=AOD64_0xATKTqF7y1q3STohfIPcHxjiRDA&q&sqi=2&nis=4&adurl&ved=2ahUKEwjerdr_j5iEAxUu-jgGHdWhCDgQ0Qx6BAgLEAE University of Tasmania].

Computational Chemists

He had married twice: firstly in 1864 to Agnes Matilda Smith (died 1888) with whom he had a son and two daughters, and secondly in 1890 to Mary Louisa Mead with whom he had a further daughter.

Spectroscopists

David Weininger (August 5, 1952 – November 2, 2016) was an American cheminformatician and entrepreneur. He was most notable for inventing the chemical line notations for structures (SMILES), substructures (SMARTS) and reactions (SMIRKS). He also founded Daylight Chemical Information Systems, Inc.

Computational Chemists

In his spare time he played the cello and made music with Albert Einstein and Max Planck during his time in Berlin. Czerny married Octavia Gaupp in 1934.

Spectroscopists

Michelle Louise Coote FRSC FAA is an Australian polymer chemist. She has published extensively in the fields of polymer chemistry, radical chemistry and computational quantum chemistry. She is an Australian Research Council (ARC) Future Fellow, Fellow of the Royal Society of Chemistry (FRSC) and Fellow of the Australian Academy of Science (FAA). Coote is a professor of chemistry in the Australian National University (ANU) College of Physical and Mathematical Sciences. She is a member of the ARC Centre of Excellence for Electromaterials Science and past chief investigator in the ARC Centre of Excellence for Free-Radical Chemistry and Biotechnology.

Computational Chemists

Kroto was born in Wisbech, Isle of Ely, Cambridgeshire, England, to Edith and Heinz Krotoschiner, his name being of Silesian origin. His fathers family came from Bojanowo, Poland, and his mothers from Berlin. Both of his parents were born in Berlin and fled to Great Britain in the 1930s as refugees from Nazi Germany; his father was Jewish. Harry was raised in Bolton while the British authorities interned his father on the Isle of Man as an enemy alien during World War II. Kroto attended Bolton School, where he was a contemporary of the actor Ian McKellen. In 1955, Harold's father shortened the family name to Kroto. As a child, he became fascinated by a Meccano set. Kroto credited Meccano, as well as his aiding his father in the latter's balloon factory after World War II – amongst other things – with developing skills useful in scientific research. He developed an interest in chemistry, physics, and mathematics in secondary school, and because his sixth form chemistry teacher (Harry Heaney – who subsequently became a university professor) felt that the University of Sheffield had the best chemistry department in the United Kingdom, he went to Sheffield. Although raised Jewish, Kroto stated that religion never made any sense to him. He was a humanist who claimed to have three religions: Amnesty Internationalism, atheism, and humour. He was a distinguished supporter of the British Humanist Association. In 2003 he was one of 22 Nobel Laureates who signed the Humanist Manifesto. In 2015, Kroto signed the Mainau Declaration 2015 on Climate Change on the final day of the 65th Lindau Nobel Laureate Meeting. The declaration was signed by a total of 76 Nobel Laureates and handed to then-President of the French Republic, François Hollande, as part of the successful COP21 climate summit in Paris.

Spectroscopists

Roman Ivanovich Personov (January 4, 1932 – January 17, 2002) was a Soviet and Russian scientist, professor, doctor, one of the founders of selective laser spectroscopy of complex molecules in solids (frozen solutions). He was awarded the Humboldt Prize in 1998.

Spectroscopists

Through the support of the German Research Foundation (DFG) in the early 60th Hartmann could expand his group of researchers. Among the 20 theoreticists and about 100 scientists working and teaching at Hartmann's Institute were H. L. Schläfer, G. Gliemann, H. Sillescu, G.H. Kohlmeier, K. Helfrich, E. A. Reinsch, H. v. Hirschhausen, K. Jug, J. Heidberg, H. Heydmann, H. Kelm, H. W. Spiess. With the support of his group Hartmann focused on getting students interested in theoretical chemistry by arranging regular summer schools in theoretical chemistry held mostly at Konstanz/Bodensee. 1962 Hartmann started Theoretica Chimica Acta a peer-reviewed scientific journal publishing original research and review articles in theoretical chemistry. Articles could be submitted in English, German, French and also Latin, but only one article was ever written in Latin. 1984 shortly before his death Hartmann turned the editorship over to K. Ruedenberg, Iowa State University. After Ruedenberg's retirement 1997, the name of Theoretica Chimica Acta (TCA) was broadened to Theoretical Chemistry Accounts: Theory, Computation, and Modeling, still keeping its initials TCA, with the new editor Donald G. Truhlar, University of Minnesota. TCA documents the growth of the field of theoretical chemistry and contributed significantly to the progress of theoretical chemistry in Germany. 1965 Hartmann organized the first Theoretical Chemistry Symposia ( "Symposium für Theoretische Chemie"). The initial goal of the annual meetings was to provide a regular platform for theoreticians from Germany, Austria, and Switzerland to meet with experimentalist. In the organization committee Hartmann was supported by H. Labhart (Zürich), and 0.E. Polansky (Vienna) – to which at a later time W.A. Bingel (Göttingen), E. Ruch (Berlin), G. Wagniere (Zürich), and P. Schuster (Vienna) were added. Since 1992 the symposium organizer is selected by the Arbeitsgemeinschaft Theoretische Chemie (AGTC), founded to give this field a more official status in concert with the established professional organizations of chemistry, physical chemistry, and physics. The symposium is since then the annual meeting for theoretical chemists from the German speaking countries The location of these meetings varies in the series between Germany-Switzerland-Germany-Austria. Through all the efforts initiated by H. Hartmann theoretical chemistry started to influence not only chemical research in Germany but slowly became an independent field for which new professorships were created at universities.

Computational Chemists

After obtaining his Ph.D., Stevens accepted a postdoctoral position in 1988 in the lab of Nobel Laureate William N. Lipscomb, Jr. in the chemistry department at Harvard University where he focused on the large allosteric enzyme aspartate carbamoyltransferase. In 1991, he accepted a tenure-track position at the University of California, Berkeley in the chemistry department with a joint appointment in neurobiology. His initial research as an assistant professor focused on structural neurobiology and immunology, combining chemistry, structural biology and protein chemistry with a specific biological interest in understanding how the G protein-coupled receptor (GPCR) superfamily works. A seminal collaboration for Stevens was with Professor Peter G. Schultz where they jointly published a series of Science and Nature papers describing the immunological evolution of antibodies through careful structural studies. In 1999, Stevens left Berkeley to take a tenured position at The Scripps Research Institute. While at The Scripps Research Institute, Stevens has helped to found and establish the Joint Center for Structural Genomics, Joint Center for Innovative Membrane Protein Technologies, and the GPCR Network, all funded by the National Institutes of Health with direct guidance from NIGMS. In 2012, Stevens co-founded the at ShanghaiTech University. In 2014, Stevens moved his lab from The Scripps Research Institute to the University of Southern California, where he is currently the Provost Professor of Biological Sciences and Chemistry and he founded the Bridge Institute to converge the arts and sciences. Stevens is known for obtaining the structures of many biologically significant proteins and his technological innovations. He is considered a pioneer of high-throughput x-ray crystallography and structural genomics. His laboratory has led to the contribution of over 500 protein structure entries in the Protein Data Bank www.pdb.org. Stevens has withdrawn two different structures of ligand-bound clostridial neurotoxins. In October 2007, Stevens and colleagues published the first high-resolution structure of a human GPCR. The β-adrenergic receptor work was quickly followed up 9 months later by the determination of the structure of the human A adenosine receptor structure, also known as the caffeine receptor. In 2010, the structures of the human chemokine CXCR4 receptor (HIV co-receptor), the human dopamine D3 receptor and the human Histamine H1 receptor were published. In addition to these inactive-state structures, Stevens and colleagues solved the structure of an agonist-bound A adenosine receptor. Subsequent novel human receptor structures include: 2012: The first structure of a lipid-activated GPCR, the sphingolipid, the human kappa-opioid receptor and the human nociceptin/orphanin FQ peptide receptor. 2013: Serotonin receptors 5-HT1B and 5-HT2B, the second HIV co-receptor, C-C chemokine receptor type 5 (CCR5) and the first structure of a non-class A GPCR, the transmembrane domain of the human Metabotropic glutamate receptor 1 (mGluR1) and the first structures of non-rhodopsin family GPCRs, the transmembrane domain of the human Smoothened receptor from the Frizzled/Taste2 family and the transmembrane domain of the human glucagon receptor (GCGR) from the adhesion (class B) family. 2014: The human P2Y receptor 12 (P2Y12) bound to antagonist or agonist; the human Delta opioid receptor at 1.8A and the first structure of a class C GPCR, the transmembrane domain of the human Metabotropic glutamate receptor 1 (mGluR1). 2015: The human Lysophosphatidic acid receptor 1 (LPAR1), the human angiotensin II receptor type 1 (AT1R), human P2Y receptor 1 (P2Y1); and the human Rhodopsin-Arrestin complex. 2016: The marijuana receptor—human Cannabinoid receptor type 1 (CB1) and the human C-C chemokine receptor type 2 (CCR2) 2017:The human apelin receptor and the human angiotensin II receptor 2 (AT2R) as well as the full length human glucagon receptor (GPCR) and trans membrane domain of the human glucagon like peptide receptor 1 (GLP1R) 2018: The human seratonin receptor 5HT2C human neuropeptide Y Y1 receptor platelet activating factor receptor and the trans membrane domain of the human frizzled 4 receptor 2019: The human prostaglandin E2 receptor3 (EP3), the human cannabinoid receptor CB2, the human neurokinin 1 receptor, and the melatonin receptors MT1 and MT2 2020:The human melanocortin 4 receptor (MC4), In combination with the structural studies, working with the computational biology community to conduct GPCR Dock 2008 and GPCR Dock 2010 has helped to evaluate where the field is at, and functional studies using HDX and NMR are conducted by Stevens and collaborators to understand how the receptors work at the molecular level, and what fundamental and basic insights can be gained towards developing therapeutic drugs.

Computational Chemists

Curl was a postdoctoral fellow at Harvard University with E. B. Wilson, where he used microwave spectroscopy to study the bond rotation barriers of molecules. After that, he joined the faculty of Rice University in 1958. He inherited the equipment and graduate students of George Bird, a professor who was leaving for a job at Polaroid. Curl's early research involved the microwave spectroscopy of chlorine dioxide. His research program included both experiment and theory, mainly focused on detection and analysis of free radicals using microwave spectroscopy and tunable lasers. He used these observations to develop the theory of their fine structure and hyperfine structure, as well as information about their structure and the kinetics of their reactions.

Spectroscopists

Merz was born in Niagara Falls, New York, on January 24, 1959. His family moved to Gladwyne, Pennsylvania, where he graduated from Harriton High School in 1977. Merz studied chemistry at the undergraduate level at Washington College and where he graduated in 1981. In 1985, he received his Ph.D. from the University of Texas at Austin under the supervision of M. J. S. Dewar. After postdoctoral appointments with Roald Hoffmann from 1986 to 1987 and Peter Kollman from 1987 to 1989, he started his academic career at the Pennsylvania State University.

Computational Chemists

Zewail's key work was a pioneer of femtochemistry—i.e. the study of chemical reactions across femtoseconds. Using a rapid ultrafast laser technique (consisting of ultrashort laser flashes), the technique allows the description of reactions on very short time scales – short enough to analyse transition states in selected chemical reactions. Zewail became known as the "father of femtochemistry". He also made critical contributions in ultrafast electron diffraction, which uses short electron pulses rather than light pulses to study chemical reaction dynamics.

Spectroscopists

In 1933 H. Hartmann started the study of chemistry in Munich, where he got strongly influenced and supported by Arnold Sommerfeld. 1939 he continued his studies in Frankfurt where he received his PhD 1941. In 1943 he habilitated on the applications of the Hückel theory. 1946 he became Docent in Frankfurt. Together with F. Ilse, his first student, he developed Ligand field theory a mayor advance in the understanding of complex compounds. In 1951 he became leader of a division in the Max-Planck-Institute for Physical Chemistry in Göttingen but returned to Frankfurt a year later.

Computational Chemists

Over the course of his career, Clark delivered several named lectures and received multiple awards. In 1969, he was elected a fellow of the Royal Society of Chemistry. In 1989, he was granted honorary fellowship by the Royal Society of New Zealand. He became a fellow of the Royal Society of London and member of the Academia Europaea in 1990. Two years later, he was elected a fellow of University College London and the Royal Society of Arts, and in 2001 he was conferred with an honorary DSc by the University of Canterbury. Clark was appointed a Companion of the New Zealand Order of Merit in the 2004 Queen's Birthday Honours, for services to science and New Zealand interests in the United Kingdom, followed by elections as a foreign fellow of the National Academy of Sciences, India in 2007 and as an international member of the American Philosophical Society in 2010. In 2009, Royal Society of Chemistry awarded Clark the Sir George Stokes Award for his contribution to the application of analytical science to the arts and archaeology through his development of Raman microscopy for the identification of pigments.

Spectroscopists

Alexander Boden was born on 28 May 1913, shortly after his parents William and Helena Boden arrived in Australia from Ireland. His parents established a drapery business in the main shopping centre of the Sydney suburb of Chatswood. Alex was the middle child between his two sisters. His father, William Boden, was born in Ballinasloe on the border of counties Galway and Roscommon. In Williams youth, he went to join his uncle in the latters evidently prosperous drapery story in Magherafelt, County Londonderry. A surviving photograph of the staff of the store is impressive: some fifty men and women in starched collars and prim blouses stand in well-ordered ranks. The move to Australia in 1913 followed the emigration of Williams two brothers and a sister. His mother, formerly Helena Isabella Hutchinson, a schoolteacher, came from Knockboy, near Broughshane, County Antrim, of a family of schoolteachers and clerics. Alex Bodens education was at Willoughby Public School and North Sydney Boys High School. His fathers premises were owned by the pharmacists Washington H. Soul, Pattinson and Co. and one day, while the young Alex was still at school, his father asked his landlord what was the best career for a boy. Buyin and sellin was Dr. Pattinson's counsel. In a greatly expanded sense it could be said that Alex Boden followed this advice.

Computational Chemists

Johann Jakob Balmer (1 May 1825 – 12 March 1898) was a Swiss mathematician best known for his work in physics, the Balmer series of hydrogen atom.

Spectroscopists

He is the co-author of a fundamental book in heterocyclic chemistry: * The Tautomerism of Heterocycles. Advances in Heterocyclic Chemistry-Supplement 1, 1976.

Computational Chemists

Talbot invented a process for creating reasonably light-fast and permanent photographs that was the first made available to the public; however, his was neither the first such process invented nor the first one publicly announced. Shortly after Louis Daguerres invention of the daguerreotype was announced in early January 1839, without details, Talbot asserted priority of invention based on experiments he had begun in early 1834. At a Friday Evening Discourse at the Royal Institution on 25 January 1839, Talbot exhibited several paper photographs he had made in 1835. Within a fortnight, he communicated the general nature of his process to the Royal Society, followed by more complete details a few weeks later. Daguerre did not publicly reveal any useful details until mid-August, although by the spring it had become clear that his process and Talbots were very different. Talbot's early "salted paper" or "photogenic drawing" process used writing paper bathed in a weak solution of ordinary table salt (sodium chloride), dried, then brushed on one side with a strong solution of silver nitrate, which created a tenacious coating of very light-sensitive silver chloride that darkened where it was exposed to light. Whether used to create shadow image photograms by placing objects on it and setting it out in the sunlight, or to capture the dim images formed by a lens in a camera, it was a "printing out" process, meaning that the exposure had to continue until the desired degree of darkening had been produced. In the case of camera images, that could require an exposure of an hour or two if something more than a silhouette of objects against a bright sky was wanted. Earlier experimenters such as Thomas Wedgwood and Nicéphore Niépce had captured shadows and camera images with silver salts years before, but they could find no way to prevent their photographs from fatally darkening all over when exposed to daylight. Talbot devised several ways of chemically stabilizing his results, making them sufficiently insensitive to further exposure that direct sunlight could be used to print the negative image produced in the camera onto another sheet of salted paper, creating a positive.

Spectroscopists

He was born on 26 February 1898 in Woskresenówka near Kharkiv in Imperial Russia. He attended Gymnasium high school in Kharkiv as well as a music school where he learned to play the violin under supervision of Konstanty Gorski. In 1916, he started to study physics at the University of Kharkiv. During the World War I he served in the Polish I Corps in Russia. After the war he settled in Warsaw in 1918. In 1919–1920 he fought for Poland against aggression by Soviet Russia (and was consequently decorated with the Polish Cross of Valour). Jabłoński initially studied the violin at Warsaw Conservatory, under the virtuoso Stanisław Barcewicz, but later switched to science. He received a Ph.D. from the University of Warsaw in 1930, writing a thesis On the influence of the change of the wavelength of excitation light on the fluorescence spectra. He then went to Friedrich-Wilhelms-Universität in Berlin, Germany for two years (1930–31) as a fellow of the Rockefeller Foundation. He worked with Peter Pringsheim at the FWU and later with Otto Stern in Hamburg. In 1934 Jabłoński returned to Poland to receive habilitation from the University of Warsaw. His thesis was On the influence of intermolecular interactions on the absorption and emission of light, the subject to which he would devote the rest of his life. He served as president of the Polish Physical Society between 1957 and 1961. Jabłoński was a pioneer of molecular photophysics, creating the concept of the "luminescent centre" and his own theories of concentrational quenching and depolarization of photoluminescence. He also worked on pressure broadening of emission spectra lines and was the first to recognize the analogy between pressure broadening and molecular spectra. This led to development of the quantum-mechanical pressure broadening theory. Fluorescence is illustrated schematically with the classical Jablonski diagram, first proposed by Jabłoński in 1933 to describe absorption and emission of light. In 1946, he settled in Toruń where he was appointed Head of the Faculty of Physics at the Nicolaus Copernicus University.

Spectroscopists

In 1968, Jameson returned to University of Illinois at Chicago as an assistant professor. She was made full Professor in 1976. Jameson spent time as a visiting scientist at the University of Cambridge, University of Oxford and Queen's University. Her work uses quantum chemistry and molecular dynamics to understand molecular electronic properties such as nuclear magnetic shielding. Jameson worked on NMR in the gas and liquid phase to establish inter and intra-molecular effects on NMR parameters. She looked at how isotopic substitution impacted the chemical shift of NMR, and used rotational–vibrational averaging theory to explain intramolecular effects, such as isotope effects and the temperature dependence of shifts in NMR. She used gas phase NMR to extract relaxation times that allowed calculation of effective collision cross-sections. She described how NMR shifts could be used as a paradigm for electronic properties of molecules. Jameson established the field of Xe NMR to study local environments with high sensitivity and fast data acquisition. She used Xe and grand canonical Monte Carlo simulations to study adsorption and diffusion in zeolites. She provided the mathematical explanation for the chemical shift and spin-spin coupling observed in NMR spectroscopy of chiral materials. She contributed to the book Multinuclear NMR, which provided information about the theory and observations in nuclear magnetic resonance spectroscopy of various nuclei. She was the first woman to deliver NMR section Rocky Mountain Conference on Analytical Chemistry Vaughan Lecture in 2000. She spent a year as a Visiting Miller Professor at the University of California, Berkeley. In 2008 Jameson returned to the Philippines to teach a quantum chemistry course for university teachers. She is a member of the Philippine-American Academy of Science and Engineering.

Spectroscopists

Douglas James Tobias is an American chemist who is professor and chair of the department of chemistry at the University of California, Irvine. His research is in the fields of biophysical, theoretical, and computational chemistry. He was elected a fellow of the American Association for the Advancement of Science in 2006. He was elected a fellow of the American Chemical Society in 2013 and of the American Physical Society in 2014. In 2014, he received the Theoretical Chemistry Award from the American Chemical Society's Division of Physical Chemistry, and in 2017, he received the Soft Matter and Biophysical Chemistry Award from the Royal Society of Chemistry.

Computational Chemists

* Fellow of the Biophysical Society, 2016 * Gilda Loew Memorial Award of the International Society of Quantum Biology and Pharmacology (ISQBP), 2014 * Hans Neurath Award - The Protein Society, 2012 * Top 100 Chemists of 2000-2010 as identified by Thomson Reuters, 2011 * Purdue University Chemistry Alumni of the Year, 2010 * North American Editor of the Journal of Computational Chemistry, 2004 * Fellow of the American Association for the Advancement of Science, 2002 * Computerworld Smithsonian Award in Computational Science, 1997 * Alfred P. Sloan Foundation Fellow, 1992

Computational Chemists

Msezane was born in Springs, South Africa on 31 December 1938, into a Zulu family. His father, Albert Msezane, was from Piet Retief, while his mother was from eSwatini (formerly Swaziland). Msezane lived on a farm with his grandmother and worked as a shepherd. In search of better opportunities, his parents moved to Johannesburg, where they raised him and his brother, Richard, and managed a successful livestock trading business. In his early schooling in St. Louis Catholic School, Msezane already demonstrated an interest and aptitude in mathematics. He attended Thlakula school from grades seven to nine, and graduated from Inkamana high school in 1959. Due to apartheid policies, he was not able to enrol in any White-only university. Instead, with a Rotary International Scholarship, he enrolled in University of Fort Hare in 1960 and obtained a B.Sc.-Honours degree in physics in 1965. In the same year, he accepted a World University Scholarship to pursue a Ph.D. at University of Saskatchewan in Canada, where he research focus was on the structure of the deuteron. After obtaining his M.Sc. in theoretical nuclear physics in 1968, Msezane returned to Johannesburg to complete his doctoral degree at University of the Witwatersrand. His research was interrupted by apartheid policies, and he had to return to Canada in 1969 to write his dissertation on collision theory at the University of Western Ontario. There, he married Gail P. Msezane, whom he had met at the University of Saskatchewan. He obtained his Ph.D. in physics in 1974.

Spectroscopists

For his commitment in Asian countries Prof. Rode has received many awards, amongst others the Honorary Doctorate Degree in Sciences of the Chulalongkorn University, Bangkok (1995), the Honorary Doctorate Degree in Sciences of the King Mongkut’s Institute of Technology, Ladkrabang, Bangkok (1998) and the Honorary Doctorate Degree in Sciences of the Gadjah Mada University, Yogyakarta, Indonesia (2000). In 2007 the King of Thailand, awarded Prof. Rode with the Knight Grand Cross (First Class), the Most Noble Order of the Crown of Thailand, for his activities and achievements to intensify the European-Asian scientific collaborations. In 2008 the Comenius University Bratislava awarded him an Honorary Doctorate Degree for his pioneer work in quantum chemistry studies of molecule and super molecule systems of ion solvation and molecular modelling of biomolecules and medicaments. In 2014 he was appointed Honorary President of ASEA-UNINET. Overview most important Awards and Decorations: * 1985 Goldenes Ehrenzeichen, Republic of Austria * 1994 Austrian Decoration for Science and Art, Republic of Austria * 1997 Honorary Member, Slovak Chemical Society * 2003 Cross of Merits, State of Tyrol * 2004 Cross of Merits, Austria * 2007 Cross of Honours in Science and Arts first class, Republic of Austria * 2008 Jan-Weber-Medal of the Slovak Pharmaceutical Society * 2010 Sitara-e-Qaid-i-Azam (Civil decoration of Pakistan) * 2011 Knight Grand Cross (First Class of The Most Exalted Order of the White Elephant with Slash) According to the Theoretical Chemistry Genealogy Project, Bernd Michael Rode is the most successful doctoral thesis supervisor of German-speaking countries in the field of Theoretical Chemistry. Between 1976 and 2011 Prof. Rode has led not less than 70 students to their Ph.D. degree. Due to his close contacts to South-East-Asia many of them come from Asian countries.

Computational Chemists

Schnell is married to Mariana, with whom he shares two children, Andrea and David. A series of ongoing health challenges in Schnell's life has prompted him to channel his research endeavors into the field of biomedical sciences.

Computational Chemists

In 1976, Smalley joined Rice University. In 1982, he was appointed to the Gene and Norman Hackerman Chair in Chemistry at Rice. He helped to found the Rice Quantum Institute in 1979, serving as chairman from 1986 to 1996. In 1990, he became also a professor in the department of physics. In 1990, he helped to found the Center for Nanoscale Science and Technology. In 1996, he was appointed its director. He became a member of the National Academy of Sciences in 1990, and the American Academy of Arts and Sciences in 1991.

Spectroscopists

Lettsom was born into a Quaker family at Fulham in March 1805. His paternal grandfather John Coakley Lettsom was a famous physician, philanthropist and abolitionist who held that sea-bathing was good for public health. His maternal grandfather − with whom he lived in his youth − was Sir William Garrow the celebrated criminal defender, afterwards a judge, who introduced the phrase "presumed innocent until proven guilty" into the common law and whose life inspired the television drama series Garrow's Law. Lettsom was educated at Westminster School and Cambridge University.

Spectroscopists

*C. V. Raman: The Scientist and His Legacy, a biopic about Raman directed by Nandan Kudhyadi released in 1989. It won the National Film Award for Best Biographical Film. *Beyond Rainbows: The Quest & Achievement of Dr. C.V. Raman, a documentary film on the physicist directed by Ananya Banerjee aired on Doordarshan, the Indian national public broadcaster, in 2004. *Rocket Boys, an Indian Hindi-language Biographical streaming television series on SonyLIV. The character of C.V.Raman was played by T.M. Karthik.

Spectroscopists

Developed by Agnar Höskuldsson, The H-Principle, is a new foundation for obtaining solutions to mathematical methods where the data is uncertain. The uncertainty approach each step is an optimal balance, which is determined between the improvement in the mathematical criterion and the associated precision. The H-principle has been extended to many areas of applied mathematics due to its flexible and adaptable nature. Making it possible for it to be a common framework for numerical computations of methods in applied mathematics, which use linear algebra and where data are uncertain.

Computational Chemists

Bancroft was born in Saskatoon, Saskatchewan, the son of an accountant, but grew up in Winnipeg, Manitoba where he attended Kelvin High School. He graduated from the University of Manitoba in 1963, subsequently earning an MSc in chemistry (1964) from the same institution. Later that year he went to the University of Cambridge, England to study for a PhD at Corpus Christi College. He worked under the supervision of A.G. Maddock on the development of Mössbauer spectroscopy, obtaining his PhD in 1967. Over a 20-year period Bancroft would become one of the world's leading experts in Mössbauer spectroscopy, publishing more than 80 papers, a major review and an authoritative textbook in the field.

Spectroscopists

Upon finishing his PhD, he spent a year conducting post-doctoral research at the University of Oxford. The first teaching position he accepted was at the University of California, Berkeley; he would remain at UC Berkeley for the rest of his career. He specialized in spectroscopy, using Fourier-transform infrared spectroscopy to determine the traits of various molecules. He also employed Raman spectroscopy and neutron spectroscopy "to study the rotations and vibrations of molecular hydrogen embedded in various systems". From 1976 to 2000, he was the editor of the Annual Review of Physical Chemistry. From 1995–2008, he was the Associate Dean of Undergraduate Affairs. He officially retired from Berkeley in 2003, though continued to teach until shortly before his death.

Spectroscopists

Sean Smith is the director of NCI Australia with a conjoint position of professor of computational nanomaterials science and technology at the Australian National University (ANU).

Computational Chemists

Herschel died on 11 May 1871 at age 79 at Collingwood, his home near Hawkhurst in Kent. On his death, he was given a national funeral and buried in Westminster Abbey. His obituary by Henry W Field of London was read to the American Philosophical Society on 1 December 1871.

Spectroscopists

In 1945, when Bidelman left Aberdeen he was hired at Yerkes as an Instructor. Under Otto Struve Yerkes became the leading astrophysics center, when he directed it. In addition to Bidelman, by 1946 the Yerkes astronomy staff included Paul Ledoux, Arne Slettebak, Armin Deutsch, Marshall Wrubel, Arthur D. Code, Carlos Cesco, Víctor M. Blanco, W. W. Morgan, Otto Struve, Jesse L. Greenstein, Gerard P. Kuiper, George Van Biesbroeck, Louis G. Henyey Anne B. Underhill, Guido Münch, Nancy G. Roman, and the two future Nobel Prize winners, Subrahmanyan Chandrasekhar and Gerhard Herzberg. Other astronomers at Yerkes when Bidelman was there were Kaj Strand, W. Albert Hiltner, Aden B. Meinel, and visiting professors Bengt Strömgren from Denmark, and Jan Oort, Hendrik C. van de Hulst and Adriaan Blaauw from the Netherlands. George Herbig, also there, remembered it as an "exciting, stimulating place to work" and a "powerhouse in astronomy" while under Struve's direction. Bidelman spent long hours observing in remote west Texas at McDonald Observatory because he, like other Yerkes faculty, was also an astronomer at the University of Texas (UT). At the suggestion of Struve, the two universities had cooperated to create McDonald Observatory when the UT system had no astronomy department but W. J. McDonald gave them money in 1926 for an observatory, while in Wisconsin, the Yerkes astronomers needed a larger telescope but lacked the funds to obtain one. Otto Struve, who directed both Yerkes and McDonald, has been described as dedicated yet demanding. His managerial style included daily inspections of the faculty to see if they were working. Despite reports of tensions there was also "close knit camaraderie" and "boisterous parties" evidenced by Yerkes "spontaneous party songs" including "The Billy Bidelman Song". Sung to the tune of "The Battle Hymn of the Republic", it consisted of repeating three times the line: "Struve, Kuiper, Hiltner, Morgan, Chandrasekhar too," followed by: "And Billy Bidelman". In 1946, W. W. Morgan and William P. Bidelman published a paper on interstellar reddening using the MK system of spectral classifications and photoelectric photometry. Morgan later said this paper with Bidelman on interstellar reddening was "the principal paper along the way" to the UBV system, which he devised with Harold Johnson. In 1947, Bidelman became first to note the concentration of type M supergiant stars around χ Per, suggesting they were young Population I objects. This group, along with the Double Cluster, was later named the Perseus OB1 Association. Based on its radial velocity, Bidelman also became first to see that S Persei is part of the Per OB1 association, which was later confirmed. Among the first stars that were studied at far-infrared wavelengths, M-type supergiants may be used to find the spiral arms of the Milky Way galaxy. Bidelman found four red supergiant stars in 1947, bringing the total then known to 13. How red supergiant stars evolved was considered an "astronomical puzzle", so the Double Cluster was used to test ideas about the evolution of red supergiant stars during the 1960s. The M-type supergiants of h and χ Per became the prototypes of this class of stars, and the major source of data for their properties. Unlike most the usual relatively young star clusters including few supergiant stars, 18 were found in the Double Cluster of Perseus by 2007, which Robert F. Wing noted as the 60th anniversary of Bidelmans "important paper", saying Bidelmans 1947 two-dimensional classifications of the then-known supergiants in h and χ Per had "served as the benchmark" for later studies of the red supergiant stars. Hydrogen is the most abundant element in the Universe, so stars displaying very little hydrogen in their atmospheres are chemically peculiar stars. There are many kinds of hydrogen-deficient stars. Upsilon Sagittarii is a hydrogen-deficient star. It is a very luminous, variable, and unusual eclipsing binary with a spectrum quite difficult to classify. In 1949, Bidelman was possibly the first to suggest that Upsilon (υ) Sagittarii's violet-shifted absorption lines, which apparently takes place during some conjunctions of this binary pair when star 2 advances in front of star 1, could be caused by gas streaming from the primary star. Bidelman suggested when the displaced H-alpha(Hα) absorption line was present, it happened at regular intervals when the primary star was furthest away from Earth. Upsilon Sag was the only example of a star of its type until Bidelman discovered another star similar to it, HD 30353. This star became known as "Bidelman's star". Bidelman and Keenan were the first to regard the barium star red giants as different from other red giants and to describe them as a spectroscopic class. Barium is a heavy metal element made by certain advanced stars with a helium-burning shell surrounding a spent carbon core In addition to the λ4554 barium line, some other characteristics of the group were two enhanced strontium (SR II) lines, at λ4077 and another at λ4215 blended with the head of the CN band, and also an enhanced G band due to CH and possibly CN. There are some supergiant stars with these BA II, strontium lines and CN band, but the G and K-type stars Bidelman and Keenan described did not appear to be supergiants. G, K, and M-type giants, the most complex area of the Hertzsprung–Russell diagram (HR) diagram, have spectra so complicated "many astronomers have shied away from studying them". Eventually, Robert McClure discovered that essentially all barium stars began with a companion star that made the s-process elements, and when the companion star aged into a white dwarf, a stellar wind moved what was made by one star to the other star, a shifting of mass from an Asymptotic giant branch(AGB) star that turned into a white dwarf, to its companion star. Bidelman was the first to find three unusual A- and F-type high-latitude bright stars, HR 6144, 89 Herculis, and HD 161796 in the high galactic plane, an unexpected place for supergiant stars to be found. Astronomers expect to find massive young stars that are five to twenty times the mass of the Sun, on the galactic plane, a place where stars form, but it is rare to find stars like Her 89, with a spectrum that appears to be a young supergiant so far from the Galactic plane. Regarding these stars with characteristics of Population I supergiants, yet found at high galactic latitude, another astronomer wrote, "If I were a theoretician, I would simply say, They cant be, therefore they arent". Bidelman's 1951 study also isolated the G- and K-type giant stars with weak G-bands as a class of peculiar giants.

Spectroscopists

Msezane's awards and honors include: *1965: World University Service Scholarship, University of Saskatchewan *1998: Honorary Doctorate of Science degree from the University of Fort Hare (South Africa) *1999: Fellow of the American Physical Society and Life Member. *1999: Edward A. Bouchet Award of the American Physical Society *2011: Fellow of the American Association for the Advancement of Science *2016: Fellow of the Royal Society of Chemistry *2011: Fellow of the Institute of Physics, London, UK *Fellow of the National Society of Black Physicists *2020: Fellow of the African Scientific Institute

Spectroscopists

Heinrich Gustav Johannes Kayser ForMemRS (; 16 March 1853 – 14 October 1940) was a German physicist and spectroscopist.

Spectroscopists

Santiago has garnered some accolades for his research and teaching endeavors. He received the Faculty Award for Teaching Excellence from the School of Informatics at Indiana University in 2006. In 2013, he was inducted to the League of Educational Excellence in the University of Michigan Medical School, and was awarded the Endowment for Basic Science Teaching Award from the same institution. He was also Visiting Professor of Excellence, Department of Chemistry, University of Barcelona, Barcelona, Spain. Schnell was recognized with James S. McDonnell Foundation 21st Century Scientist Award in 2010. He is Fellow of the Royal Society of Chemistry, Fellow of the Royal Society of Medicine and Fellow of the Royal Society of Biology. He is a Corresponding Member of the Academia de Ciências da América Latina. Schnell is an elected Fellow of the American Association for the Advancement of Science for distinguished contributions to the field of mathematical biology, particularly for the theoretical modeling of complex biochemical reactions and optimal estimation of their rates. In 2023, The Society for Mathematical Biology honored him with the Arthur T. Winfree Prize for his outstanding contributions to many areas of biology, and in particular his seminal work on enzyme kinetics. Schnell's theories and mathematical modelling of enzyme catalyzed reactions have been transformative for the fields of catalysis and enzyme kinetics while leading, at the same time, to a resurgence of new mathematical biology research in enzyme kinetics. The Society for Advancement of Chicanos and Native Americans in Science conferred upon him the 2023 SACNAS Distinguished Scientist Award in recognition of his significant contributions to enzyme kinetics and the creation of a fundamental quantitative enzymological model of the Polymerase Chain Reaction.

Computational Chemists

Stevens has started four biotechnology companies (Syrrx (1999), MemRx (2002), Receptos (2009), and RuiYi (2011)), all focused on structure based drug discovery and each company started with one of his former Ph.D. students. *Syrrx, started with UC-Berkeley Ph.D. student Nathaniel David and colleague Peter G. Schultz, was acquired by Takeda Pharmaceuticals in 2005 for the high-throughput structure based drug discovery platform, and because of a phase II clinical candidate alogliptin known to inhibit the enzyme DPPIV and is now an approved drug known as Nesina. *MemRx, started with Ph.D. student Mike Hanson and Jun Yoon, was acquired by Sagres Discovery in 2003 for the membrane protein expression technologies, and the combined entity was later acquired by Novartis in 2005. *Receptos, started with Ph.D. students Mike Hanson, Chris Roth and staff scientist Mark Griffith along with TSRI colleagues Hugh Rosen and Ed Roberts, focused on GPCR structure based drug discovery with a primary interest in inflammation and oncology. On July 14, 2015, Celgene announced that it will buy Receptos for $7.32 billion in cash. The S1P1 agonist was approved for patients with MS in March, 2020 under the brand name Zeposia and sold by BMS. *In 2011, Stevens, with Paul Grayson and his former TSRI graduate student Fei Xu, started RuiYi, a biologics GPCR company located in Shanghai, China. The company was acquired by Anaphore in 2012. The company currently has one drug in phase II clinical trials for RA and a drug in place for liver fibrosis. *In 2018, Stevens, with former students Mike Hanson and Jun Yoon, started Structure Therapeutics, a company focused on converting biologics to small molecules using next generation structure-based drug discovery to make best in class medicines accessible to all. The company currently has two drugs in clinical trials for pulmonary and metabolic diseases.

Computational Chemists

In 1945, Rabi delivered the Richtmyer Memorial Lecture, held by the American Association of Physics Teachers in honor of Floyd K. Richtmyer, wherein he proposed that the magnetic resonance of atoms might be used as the basis of a clock. William L. Laurence wrote it up for The New York Times, under the headline "Cosmic pendulum for clock planned". Before long Zacharias and Ramsey had built such atomic clocks. Rabi actively pursued his research into magnetic resonance until about 1960, but he continued to make appearances at conferences and seminars until his death. Rabi chaired Columbias physics department from 1945 to 1949, during which time it was home to two Nobel laureates (Rabi and Enrico Fermi) and eleven future laureates, including seven faculty (Polykarp Kusch, Willis Lamb, Maria Goeppert-Mayer, James Rainwater, Norman Ramsey, Charles Townes and Hideki Yukawa), a research scientist (Aage Bohr), a visiting professor (Hans Bethe), a doctoral student (Leon Lederman) and an undergraduate (Leon Cooper). Martin L. Perl, a doctoral student of Rabis, won the Nobel Prize in 1995. Rabi was the Eugene Higgins professor of physics at Columbia but when Columbia created the rank of university professor in 1964, Rabi was the first to receive such a chair. This meant that he was free to research or teach whatever he chose. He retired from teaching in 1967 but remained active in the department and held the title of University Professor Emeritus until his death. A special chair was named after him in 1985. A legacy of the Manhattan Project was the network of national laboratories, but none was located on the East Coast. Rabi and Ramsey assembled a group of universities in the New York area to lobby for their own national laboratory. When Zacharias, who was now at MIT, heard about it, he set up a rival group at MIT and Harvard. Rabi had discussions with Major General Leslie R. Groves Jr., the director of the Manhattan Project, who was willing to go along with a new national laboratory, but only one. Moreover, while the Manhattan Project still had funds, the wartime organization was expected to be phased out when a new authority came into existence. After some bargaining and lobbying by Rabi and others, the two groups came together in January 1946. Eventually nine universities (Columbia, Cornell, Harvard, Johns Hopkins, MIT, Princeton, Pennsylvania, Rochester and Yale) came together, and on January 31, 1947, a contract was signed with the Atomic Energy Commission (AEC), which had replaced the Manhattan Project, that established the Brookhaven National Laboratory. Rabi suggested to Edoardo Amaldi that Brookhaven might be a model that Europeans could emulate. Rabi saw science as a way of inspiring and uniting a Europe that was still recovering from the war. An opportunity came in 1950 when he was named the United States Delegate to the United Nations Educational, Scientific and Cultural Organization (UNESCO). At a UNESCO meeting at the Palazzo Vecchio in Florence in June 1950, he called for the establishment of regional laboratories. These efforts bore fruit; in 1952, representatives of eleven countries came together to create the Conseil Européen pour la Recherche Nucléaire (CERN). Rabi received a letter from Bohr, Heisenberg, Amaldi and others congratulating him on the success of his efforts. He had the letter framed and hung it on the wall of his home office.

Spectroscopists

Arthur Compton was born on September 10, 1892, in Wooster, Ohio, the son of Elias and Otelia Catherine (née Augspurger) Compton, who was named American Mother of the Year in 1939 and was of German Mennonite descent. They were an academic family. Elias was dean of the University of Wooster (later the College of Wooster), which Arthur also attended. Arthur's eldest brother, Karl, who also attended Wooster, earned a Doctor of Philosophy (PhD) degree in physics from Princeton University in 1912, and was president of the Massachusetts Institute of Technology from 1930 to 1948. His second brother Wilson likewise attended Wooster, earned his PhD in economics from Princeton in 1916 and was president of the State College of Washington, later Washington State University from 1944 to 1951. All three brothers were members of the Alpha Tau Omega fraternity. Compton was initially interested in astronomy, and took a photograph of Halleys Comet in 1910. Around 1913, he described an experiment where an examination of the motion of water in a circular tube demonstrated the rotation of the earth, a device now known as the Compton generator. That year, he graduated from Wooster with a Bachelor of Science degree and entered Princeton, where he received his Master of Arts degree in 1914. Compton then studied for his PhD in physics under the supervision of Hereward L. Cooke, writing his dissertation on The Intensity of X-Ray Reflection, and the Distribution of the Electrons in Atoms'. When Arthur Compton earned his PhD in 1916, he, Karl and Wilson became the first group of three brothers to earn Ph.D.s from Princeton. Later, they would become the first such trio to simultaneously head American colleges. Their sister Mary married a missionary, C. Herbert Rice, who became the principal of Forman Christian College in Lahore. In June 1916, Compton married Betty Charity McCloskey, a Wooster classmate and fellow graduate. They had two sons, Arthur Alan Compton and John Joseph Compton. Compton spent a year as a physics instructor at the University of Minnesota in 1916–17, then two years as a research engineer with the Westinghouse Lamp Company in Pittsburgh, where he worked on the development of the sodium-vapor lamp. During World War I he developed aircraft instrumentation for the Signal Corps. In 1919, Compton was awarded one of the first two National Research Council Fellowships that allowed students to study abroad. He chose to go to the University of Cambridge's Cavendish Laboratory in England. Working with George Paget Thomson, the son of J. J. Thomson, Compton studied the scattering and absorption of gamma rays. He observed that the scattered rays were more easily absorbed than the original source. Compton was greatly impressed by the Cavendish scientists, especially Ernest Rutherford, Charles Galton Darwin and Arthur Eddington, and he ultimately named his second son after J. J. Thomson. From 1926 to 1927, he taught at the department of chemistry of the University of the Punjab where he was a Guggenheim Fellow. For a time Compton was a deacon at a Baptist church. "Science can have no quarrel", he said, "with a religion which postulates a God to whom men are as His children."

Spectroscopists

Viktorya Aviyente is a Turkish computational chemist. Aviyente is a professor emeritus at Boğaziçi University. Her research interests include computational chemistry and molecular modelling. Aviyente completed a B.S. (1973), M.S. (1977), and Ph.D. (1983) in chemistry at Boğaziçi University.

Computational Chemists

Sham is noted for his work on density functional theory (DFT) with Walter Kohn, which resulted in the Kohn–Sham equations of DFT. The Kohn–Sham method is widely used in materials science. Kohn received a Nobel Prize in Chemistry in 1998 for the Kohn–Sham equations and other work related to DFT. Sham's other research interests include condensed matter physics and optical control of electron spins in semiconductor nanostructures for quantum information processing.

Computational Chemists

Yousef Saad (born 1950) in Algiers, Algeria from Boghni, Tizi Ouzou, Kabylia is an I.T. Distinguished Professor of Computer Science in the Department of Computer Science and Engineering at the University of Minnesota. He holds the William Norris Chair for Large-Scale Computing since January 2006. He is known for his contributions to the matrix computations, including the iterative methods for solving large sparse linear algebraic systems, eigenvalue problems, and parallel computing. He is listed as an ISI highly cited researcher in mathematics, is the most cited author in the journal Numerical Linear Algebra with Applications, and is the author of the highly cited book Iterative Methods for Sparse Linear Systems. He is a SIAM fellow (class of 2010) and a fellow of the AAAS (2011). In 2023, he won the John von Neumann Prize.

Computational Chemists

Zare is well known for his research in laser chemistry, particularly the development of laser-induced fluorescence, which he has used to study reaction dynamics and analytical detection methods. His research on the spectroscopy of chemical compounds suggested a new mechanism for energy transference in inelastic collisions. He and his students have developed tools and techniques to examine chemical reactions at the molecular and nanoscale levels. They have explored a wide-ranging variety of problems in physical chemistry and chemical analysis including examination of heterogeneous structures in mineral samples, the contents of cells and subcellular compartments, and the chemical analysis of liquid samples. Early in his career, the question of whether laser-induced fluorescence (LIF) could be used to study aflatoxins spurred Zare to adapt LIF for use on liquids. Work with postdoc Gerald Diebold resulted in the first use of LIF for detection in chemical analysis. This opened up the potential for a wide variety of fluid applications, including the detection of single molecules in liquids at room-temperature and detection methods for capillary electrophoresis. Zare and his coworkers have combined CCD imaging with LIF detection to detect amol and zeptamole amounts of FITC-labelled amino acids. Zare and his students have also developed cavity ring-down spectroscopy (CRDS) for quantitative diagnosis, and for high performance liquid chromatography (HPLC) Zare is also involved in the development of desorption electrospray ionization (DESI) techniques, which are being used for mass spectrometric imaging of lipids, metabolites and proteins in tissue samples, including prostate cancer. Zare has also worked with NASA and others on astrobiology. He is one of the co-authors of a paper that appeared in Science in 1996, raising the possibility that a meteorite from Mars, ALH84001, contained traces of Martian life. Zare used two-step laser mass spectrometry (L2MS), a technique that is particularly sensitive to organic molecules, to examine samples from the interior of the meteorite. He found that the 4.5-billion-year-old Martian meteorite, discovered in Antarctica, contained polycyclic aromatic hydrocarbons. This lead researchers to speculate on the presence of fossilized remains from Mars. Other researchers questioned this interpretation, suggesting that the sample might have been contaminated after its arrival on Earth. Considerable controversy resulted, which Zare felt disrupted his ongoing laboratory research. Zare has also worked with NASA on examinations of organic materials obtained from Comet 81P/Wild by the Stardust Spacecraft.

Spectroscopists

Haile's research includes the investigation of structure-property relations in thermoelectric materials, in collaboration with colleagues at the Jet Propulsion Laboratory and ferroelectric materials as part of a multidisciplinary program at Caltech dedicated to the computational prediction/optimization of material and device behavior. The project was supported by NSF and the Army Research Office through the Caltech Center for the Science and Engineering of Materials.

Computational Chemists

Hewish had honorary degrees from six universities, including Manchester, Exeter and Cambridge, was a foreign member of the Belgian Royal Academy, American Academy of Arts and Sciences and the Indian National Science Academy. The National Portrait Gallery holds multiple portraits of him in its permanent collection. Other awards and honours include: * Elected a Fellow of the Royal Society (FRS) in 1968 * Eddington Medal, Royal Astronomical Society (1969) * Dellinger Gold Medal, International Union of Radio Science (1972) * Albert A. Michelson Medal, Franklin Institute (1973, jointly with Jocelyn Bell Burnell) * Fernand Holweck Medal and Prize (1974) * Nobel Prize for Physics (jointly) (1974) * Hughes Medal, Royal Society (1976) * Elected a Fellow of the Institute of Physics (FInstP) in 1998

Spectroscopists

* Biological Applications of Infrared Spectroscopy (1997) * Polymer Analysis (2002) * Infrared Spectroscopy: Fundamentals and Applications (2004) * Analytical techniques in materials conservation (2007) * Forensic Analytical Techniques (2012)

Spectroscopists

Sander is a former Executive Editor for the journal Bioinformatics. In 2014 he was appointed one of the first Honorary Editors of Bioinformatics. Sander was awarded the ISCB Accomplishment by a Senior Scientist Award in 2010. He was awarded the 2018 DeLano Award for Computational Biosciences.

Computational Chemists

In 1969, Bidelman was a professor in the astronomy department at Austin. By the end of the 1960s, astronomers had begun to discuss the possibility of creating astronomical data centers. In a letter in 1969, Luboš Perek wrote that an astronomer who wanted a star's MK classification might search through 5 to 100 papers "according to his temperament" then give up, or take a plate to determine the type, or choose another star. Astronomers might observe the same star under different names. Catalogs, though useful, were often created as personal endeavors by astronomers near retirement and usually published only once, and while astronomical data increased rapidly, there were few making catalogs. In 1969, Bidelman became one of the six astronomers funded by the Astronomical Society of the Pacific to study the feasibility of a computerized data center. In 1970, the first official IAU debate on astronomical data centers took place. After a temporary IAU working group held meetings, and representatives from 16 countries showed interest, the IAU established the first permanent Working Group on Numerical Data, and Bidelman became one of its "main data center leaders" to plan centers to make data more reliable and accessible. Their first goal was to distribute information on existing Data Centers as well as lists of data errors. The Strasbourg Astronomical Data Center, NASA Astrophysics Data System, and data centers in Japan and by the Astronomical Council of the USSR Academy of Science were among the first centers developed, and said many goals in creating data centers were eventually met and, as A. Heck noted, "sometimes largely facilitated by not-so-quickly-expected technologies such as the electronic networking of the planet". While at Austin in 1970, Bidelman, MacConnell and Frye published findings on six new stars showing strong neutral helium lines whose spectra appeared different from other "hydrogen deficient" stars, on objective prism plates from Cerro Tololo, Chile. By the end of the school year, Bidelman resigned to accept the position of Director of the Warner and Swasey Observatory and Chairman of Astronomy at Case Western Reserve University (CWRU) in Ohio.

Spectroscopists

The report describes Rispens' presentation of Debye, as an opportunist who had no objection to the Nazis, as a caricature. [I]t can be stated that Debye was rightly called an opportunist after his arrival in the United States. We have seen that he showed himself to be loyal to the dominant political system, first in the Third Reich and then in the United States, while at the same time keeping the back door open: in the Third Reich by retaining his Dutch nationality, in the United States by attempting to secretly maintain some contacts with Nazi Germany via the Foreign Office. It concludes that Debyes actions in 1933–45 were based on the nineteenth-century positivist view of science which saw research in physics as generating blessings for humankind. The report states that, by his contemporaries, Debye was considered an opportunist by some and as a man of highest character by others. The report asserts that Debye was not coerced by the Nazis into writing the infamous DPG Heil Hitler' letter and that he also did not follow the lead of other societies in doing so but, rather, other societies followed his lead. The NIOD report also concludes that Debye felt obliged to send the letter and that it was, for him, simply a confirmation of an existing situation. The report argues that Debye, in the Third Reich, developed a survival method of ambiguity which allowed him to pursue his scientific career despite the political turmoil. Crucial to this survival method was the need to keep ready an escape hatch, for example in his secret dealings with the Nazis in 1941, if needed. Yet, the report also states that the picture of Debye should not be oversimplified as Debyes actions were also motivated by his loyalty to his daughter, who had remained in Berlin. In general, Debye developed a survival method of ambiguity, that "could pull the wool over peoples eyes".

Spectroscopists

Hewish attended Kings College, Taunton. His undergraduate degree, at Gonville and Caius College, Cambridge, was interrupted by the Second World War. He was assigned to war service at the Royal Aircraft Establishment, and at the Telecommunications Research Establishment where he worked with Martin Ryle. Returning to the University of Cambridge in 1946, Hewish completed his undergraduate degree and became a postgraduate student in Ryles research team at the Cavendish Laboratory. For his PhD thesis, awarded in 1952, Hewish made practical and theoretical advances in the observation and exploitation of the scintillations of astronomical radio sources, due to foreground plasma.

Spectroscopists

* 1870: Spectrum analysis in its application to the heavenly bodies. Manchester, (Science lectures for the work people; series 2, no. 3) * 1872: (editor) [http://babel.hathitrust.org/cgi/pt?id=hvd.hn3317;view=1up;seq=9 Spectrum analysis in its application to terrestrial substances and the physical constitution of heavenly bodies] by H. Schellen, translated by Jane and Caroline Lassell, link from HathiTrust. * 1899: (with Lady Huggins): An Atlas of Representative Stellar Spectra from 4870 to 3300, together with a discussion of the evolution order of the stars, and the interpretation of their spectra; preceded by a short history of the observatory. London, (Publications of Sir William Huggins's Observatory; v. 1) * 1906: The Royal Society, or, Science in the state and in the schools. London. * 1909: The Scientific Papers of Sir William Huggins; edited by Sir William and Lady Huggins. London, (Publications of Sir William Huggins's Observatory; v. 2)

Spectroscopists

In the spring of 2021, the American Association of Physics Teachers voted unanimously to remove Millikan's name from the Robert A. Millikan award, which honors "notable and intellectually creative contributions to the teaching of physics." A few months later, AAPT announced that the award would be renamed in honor of University of Washington professor of physics Lillian C. McDermott who died the previous year.

Spectroscopists

Watson did his Ph.D. at the University of Glasgow, and worked in the UK, United States and Canada. He was a postdoctoral fellow under Jon Hougen in the Molecular Spectroscopy Group of Gerhard Herzberg at the National Research Council of Canada in Ottawa, Ontario from 1963 to 1965. He eventually joined the staff in the group in 1982 where he remained until retirement. Watson published a number of papers in which he developed and applied molecular Hamiltonians to problems in spectroscopy. In 1968 Watson published Simplification of the molecular vibration-rotation Hamiltonian, in which he presented a practical framework for the quantum-mechanical description of molecular ro-vibrational dynamics within the Born-Oppenheimer approximation.

Spectroscopists

David Lipman, director of the National Center for Biotechnology Information, has called Dayhoff the "mother and father of bioinformatics".

Computational Chemists

Professor William Charles Price FRS (1 April 1909 – 10 March 1993) was a British physicist (spectroscopy). Brought up in Swansea, he spent his career at the universities of Cambridge and London. His work was important for identifying the hydrogen bond structure of DNA base pairs.

Spectroscopists

* 2017: Qiu Shi Outstanding Scientist Award, Qiu Shi Science & Technologies Foundation * 2017: Foreign member of the Chinese Academy of Sciences (As of 2023, member of the CAS after Chinese citizenship reclaimed) * 2016: Member of the National Academy of Medicine * 2015: Albany Medical Center Prize * 2015: Peter Debye Award in Physical Chemistry, American Chemical Society * 2014: Fellow of the Optical Society of America * 2013: NIH Director's Pioneer Award * 2013: Ellis R. Lippincott Award, Optical Society of America and Society for Applied Spectroscopy * 2012: Edward Mack, Jr. Lecture, OSU * 2012: [http://www.chem.rochester.edu/howe/current.php Harrison Howe Award, Rochester Section of the American Chemical Society] * 2012: Fellow of the American Academy of Microbiology * 2012: Biophysical Society Founders Award * 2011: Member of the National Academy of Sciences * 2009: Ernest Orlando Lawrence Award * 2008: Fellow of the American Physical Society * 2008: Berthold Leibinger Zukunftspreis for Applied Laser Technology * 2008: Fellow of the American Academy of Arts and Sciences * 2007: Willis E. Lamb Award for Laser Sciences and Quantum Optics * 2006: Fellow of Biophysical Society * 2006: Fellow of the American Association for the Advancement of Science * 2004: NIH Director's Pioneer Award * 2003: Raymond and Beverly Sackler Prize in the Physical Sciences * 1996: Coblentz Award

Spectroscopists

Jur P. van den Berg (born 1981 in Groningen, Netherlands) is the Chief Technology Officer and co-founder of driverless trucking startup Ike, which was sold to Nuro in 2020. He has been an assistant professor at the University of Utah. He was formerly a post-doctoral researcher in the Department of Industrial Engineering and Operations Research at the University of California, Berkeley and in the Department of Computer Science at the University of North Carolina at Chapel Hill. He has published more than 40 works in computational chemistry, computational geometry, computer animation, industrial engineering, robotics, and virtual reality. He has also coauthored the reciprocal velocity obstacle library for multi-agent navigation.

Computational Chemists

Willis Eugene Lamb Jr. (; July 12, 1913 – May 15, 2008) was an American physicist who won the Nobel Prize in Physics in 1955 "for his discoveries concerning the fine structure of the hydrogen spectrum." The Nobel Committee that year awarded half the prize to Lamb and the other half to Polykarp Kusch, who won "for his precision determination of the magnetic moment of the electron." Lamb was able to precisely determine a surprising shift in electron energies in a hydrogen atom (see Lamb shift). Lamb was a professor at the University of Arizona College of Optical Sciences.

Spectroscopists

James Franck was born in Hamburg, Germany, on 26 August 1882, into a Jewish family, the second child and first son of Jacob Franck, a banker, and his wife Rebecca née Nachum Drucker. He had an older sister, Paula, and a younger brother, Robert Bernard. His father was a devout and religious man, while his mother came from a family of rabbis. Franck attended primary school in Hamburg. Starting in 1891 he attended the Wilhelm-Gymnasium, which was then a boys-only school. Hamburg had no university then, so prospective students had to attend one of the 22 universities elsewhere in Germany. Intending to study law and economics, Franck entered the University of Heidelberg in 1901, as it had a renowned law school. He attended lectures on law, but was far more interested in those on science. While there, he met Max Born, who would become a lifelong friend. With Born's help, he was able to persuade his parents to allow him to switch to studying physics and chemistry. Franck attended mathematics lectures by Leo Königsberger and Georg Cantor, but Heidelberg was not strong on the physical sciences, so he decided to go to the Frederick William University in Berlin. At Berlin, Franck attended lectures by Max Planck and Emil Warburg. On 28 July 1904 he saved a pair of children from drowning in the Spree River. For his Doctor of Philosophy (Dir. Phil.) under Warburgs supervision, Warburg suggested that he study corona discharges. Franck found this topic too complex, so he changed the focus of his thesis. Entitled Über die Beweglichkeit der Ladungsträger der Spitzenentladung ("On the Mobility of Ions"), it would subsequently be published in the Annalen der Physik'. With his thesis completed, Franck had to perform his deferred military service. He was called up on 1 October 1906 and joined the 1st Telegraph Battalion. He suffered a minor horse riding accident in December and was discharged as unfit for duty. He took up an assistantship at the Physikalische Verein in Frankfurt in 1907, but did not enjoy it, and soon returned to Frederick William University. At a concert Franck met Ingrid Josephson, a Swedish pianist. They were married in a Swedish ceremony in Gothenburg on 23 December 1907. They had two daughters, Dagmar (Daggie), who was born in 1909, and Elisabeth (Lisa), who was born in 1912. To pursue an academic career in Germany, having a doctorate was not enough; one needed a venia legendi, or habilitation. This could be achieved with either another major thesis or by producing a substantial body of published work. Franck chose the latter route. There were many unsolved problems in physics at the time, and by 1914 he had published 34 articles. He was the sole author of some, but generally preferred working in collaboration with Eva von Bahr, Lise Meitner, Robert Pohl, , Robert W. Wood, Arthur Wehnelt or Wilhelm Westphal. His most fruitful collaboration was with Gustav Hertz, with whom he wrote 19 articles. He received his habilitation on 20 May 1911.

Spectroscopists

He achieved renown by a great experiment made in 1834 – the measurement of the velocity of electricity in a wire. He cut the wire at the middle, to form a gap which a spark might leap across, and connected its ends to the poles of a Leyden jar filled with electricity. Three sparks were thus produced, one at each end of the wire, and another at the middle. He mounted a tiny mirror on the works of a watch, so that it revolved at a high velocity, and observed the reflections of his three sparks in it. The points of the wire were so arranged that if the sparks were instantaneous, their reflections would appear in one straight line; but the middle one was seen to lag behind the others, because it was an instant later. The electricity had taken a certain time to travel from the ends of the wire to the middle. This time was found by measuring the amount of lag, and comparing it with the known velocity of the mirror. Having got the time, he had only to compare that with the length of half the wire, and he could find the velocity of electricity. His results gave a calculated velocity of 288,000 miles per second, i.e. faster than what we now know to be the speed of light (), but were nonetheless an interesting approximation. It was already appreciated by some scientists that the "velocity" of electricity was dependent on the properties of the conductor and its surroundings. Francis Ronalds had observed signal retardation in his buried electric telegraph cable (but not his airborne line) in 1816 and outlined its cause to be induction. Wheatstone witnessed these experiments as a youth, which were apparently a stimulus for his own research in telegraphy. Decades later, after the telegraph had been commercialised, Michael Faraday described how the velocity of an electric field in a submarine wire, coated with insulator and surrounded with water, is only , or still less. Wheatstone's device of the revolving mirror was afterwards employed by Léon Foucault and Hippolyte Fizeau to measure the relative speeds of light in air versus water, and later to measure the speed of light.

Spectroscopists

* 2018 Elected Foreign Member: Chemical Sciences, Academia Europaea (MAE) * 2015 Honorary Fellowship, JNCASR Bangalore India * 2015 Elected Fellow, The American Association for Advancement of Science * 2013 Honorary Fellow, Trinity College Cambridge UK * 2009 International Review UK Chemistry Research Panel Chair * 2008 Elected Fellow, The Chemical Research Society of India (CRSI) * 2008 Fellow, The Mongolian National Academy of Sciences * 2008 BESAC Sub-committee Member * 2006 Elected Honorary Fellow, The Indian Academy of Sciences (IAS) * 2006 Elected Honorary Member, The Materials Research Society of India (MRSI) * 2004 Elected Fellow, The World Academy of Sciences (TWAS) * 2003 Elected Fellow, The Royal Society of Chemistry UK (FRSC) * 2003 Elected Fellow, The Institute of Physics, UK * 2003 Elected Fellow, The Royal Society of London (FRS) * 2003 Elected Member, The American Academy of Arts and Sciences * 2002 International Review UK Chemical Sciences Panel Member * 2001-2003 NSF Blue Ribbon Panel on Cyberinfrastructure Panel Member * 1997 Honorary Fellow Sidney Sussex College, University of Cambridge UK * 1991 Elected Fellow, The American Physical Society * 1989 Guggenheim Fellow, University of Florence * 1985 Fellow Commoner, Trinity College Cambridge UK * 1984 Elected Fellow, The Royal Society of Canada (FRSC) * 1979 Elected Fellow, The Chemical Institute of Canada * 1970 IBM World Trade Fellow, San Jose, CA

Computational Chemists

On March 11, 2020, the day of Bloembergen's 100th birthday, a team of researchers at the University of New South Wales published an article in Nature, demonstrating for the first time the successful coherent control of the nucleus of a single atom using only electric fields, an idea first proposed by Bloembergen back in 1961.

Spectroscopists

Gouterman was a community organiser and activist. He campaigned to end the Vietnam War. In his early career Gouterman was not open about his sexuality. He came out as gay at around age 35 after he moved to Seattle. There he became an activist for gay rights and co-founded the Dorian Society. He also worked with the New Jewish Agenda and International Jewish Peace Union to promote Israeli-Palestinian peace. In the early 1980s, Gouterman acted as a sperm donor and helped a lesbian couple have a son.Through mutual acquaintances, he discovered the identity of his son and thereafter enjoyed a close relationship with him. In the last years of his life, Gouterman suffered from Alzheimer's disease.

Computational Chemists

Manne Siegbahn began his studies of X-ray spectroscopy in 1914. Initially he used the same type of spectrometer as Henry Moseley had done for finding the relationship between the wavelength of some elements and their place at the periodic system. Shortly thereafter he developed improved experimental apparatus which allowed him to make very accurate measurements of the X-ray wavelengths produced by atoms of different elements. Also, he found that several of the spectral lines that Moseley had discovered consisted of more components. By studying these components and improving the spectrometer, Siegbahn got an almost complete understanding of the electron shell. He developed a convention for naming the different spectral lines that are characteristic to elements in X-ray spectroscopy, the Siegbahn notation. Siegbahn's precision measurements drove many developments in quantum theory and atomic physics.

Spectroscopists

Ryle was a new physics graduate and an experienced radio ham in 1939, when the Second World War started. He played an important part in the Allied war effort, working mainly in radar countermeasures. After the war, "He returned to Cambridge with a determination to devote himself to pure science, unalloyed by the taint of war." In the 1970s, Ryle turned the greater part of his attention from astronomy to social and political issues which he considered to be more urgent. With publications from 1976 and continuing, despite illness until he died in 1984, he pursued a passionate and intensive program on the socially responsible use of science and technology. His main themes were: * Warning the world of the horrific dangers of nuclear armaments, notably in his pamphlet Towards the Nuclear Holocaust. * Criticism of nuclear power, as in Is there a case for nuclear power? * Research and promotion of alternative energy and energy efficiency, as in Short-term Storage and Wind Power Availability. * Calling for the responsible use of science and technology. "...we should strive to see how the vast resources now diverted towards the destruction of life are turned instead to the solution of the problems which both rich - but especially the poor - countries of the world now face." In 1983 Ryle responded to a request from the President of the Pontifical Academy of Sciences for suggestions of topics to be discussed at a meeting on Science and Peace. Ryles reply was published posthumously in Martin Ryles Letter. An abridged version appears in New Scientist with the title Martin Ryles Last Testament'. The letter ends with "Our cleverness has grown prodigiously – but not our wisdom."

Spectroscopists

In 1988, Schulten moved to the University of Illinois at Urbana-Champaign (UIUC), where he founded the Theoretical and Computational Biophysics Group at the Beckman Institute for Advanced Science and Technology in 1989. The early development of NAMD at UIUC built on the work of Schultens students in Munich to build a custom parallel computer optimized for molecular dynamics simulations. The first simulation on the T60 modeled 27,000 atoms of membrane structure, and took twenty months to run. The simulation results agreed with experimental results, and were eventually published in the Journal of Physical Chemistry'. Work on the T60 and the Connection Machine convinced Schulten that more computing power and expertise were needed. Schulten partnered with computer scientists Robert Skeel, and Laxmikant V. Kale ("Sanjay" Kale) on a five-year grant from the NIH, and their students began writing molecular dynamics code in a new language, C++. Since then, Schulten's research group has become well known for the development of software for computational structural biology, including the molecular dynamics package NAMD and the visualization software VMD. The packages are freely usable for non-commercial research, and are used by approximately 300,000 researchers world-wide. Over time, Schulten targeted biological structures of increasing size and complexity, with larger and larger computers. By 2007 he was exploring molecular modeling using graphical processing units (GPUs). Validation of models against experimental results is an integral part of development, for example, using molecular dynamics in combination with cryo-electron microscopy and X-ray crystallography. to study the structures of large macromolecular complexes. 1996 marked the publication of Schultens model of the LH2 structure of the photosynthetic reaction centre protein family of Rhodospirillum molischianum. Drawing upon Richard J. Cogdells structure of nine-folded LH-2 from Rhodopseudomonas acidophila, Schulten worked with Michel to develop an eight-folded crystal structure model of LH2 in R. molischianum. In addition to its spectroscopic properties, they examined its energy transfer reactions in photosynthetic light-harvesting. In 2006, Schultens group modeled the satellite tobacco mosaic virus, emulating femtosecond interactions of approximately one million atoms in the virus and a surrounding drop of salt water for 50 billionths of a second. It was the first time that such a complete model had been generated, requiring the resources of the National Center for Supercomputing Applications at Urbana. The simulation provided new insights about activities of the virus. One discovery was that the virus, which looks symmetrical in still images, actually pulses in and out asymmetrically. Another was that the virus coat, the protein capsid, is dependent upon the genetic material in the RNA core of the particle and will collapse without it. This suggests that the genetic material must already be present before the virus can build its coat when reproducing. Such research points to possible interventions that may help to control the virus, and also offers the possibility of exploring possible interventions in silico' to predict effectiveness. A 2009 review describes work in modeling and verifying simulations of proteins such as titin, fibrinogen, ankyrin, and cadherin using the group's "computational microscope". In 2010, Schultens group at Illinois and researchers at the University of Utah published research examining the development of drug resistance to Tamiflu in H1N1pdm swine influenza and H5N1 avian influenza virus. Their simulations suggested that drug resistance may arise from disruption of the binding process due to electrostatic attraction in charged neuraminidase pathways, in addition to disruption of Tamiflus pentyl sidegroup. In 2013, Schulten's group published a simulated structure of the human immunodeficiency virus capsid containing 64 million atoms, among the largest simulations reported, produced using the supercomputer Blue Waters. As of 2015, the largest reported simulations involved a hundred million atoms. Schultens team modeled the structure and function of a Purple bacterias chromatophore, one of the simplest living examples of photosynthesis. Modeling the processes involved in converting sunlight into chemical energy meant representing 100 million atoms, 16,000 lipids, and 101 proteins, the contents of a tiny sphere-shaped organelle occupying just one percent of the cell's total volume. The team used the Titan supercomputer at the Oak Ridge National Laboratory in Tennessee. At his death Schulten was already planning simulations for the exa-scale Summit computer, expected to be built by 2018.

Computational Chemists

Schawlow was born in Mount Vernon, New York. His mother, Helen (Mason), was from Canada, and his father, Arthur Schawlow, was a Jewish immigrant from Riga (then in the Russian Empire, now in Latvia). Schawlow was raised in his mother's Protestant religion. When Arthur was three years old, they moved to Toronto, Ontario, Canada. At the age of 16, he completed high school at Vaughan Road Academy (then Vaughan Collegiate Institute), and received a scholarship in science at the University of Toronto (Victoria College). After earning his undergraduate degree, Schawlow continued in graduate school at the University of Toronto which was interrupted due to World War II. At the end of the war, he began work on his Ph.D at the university with Professor Malcolm Crawford. He then took a postdoctoral position with Charles H. Townes at the physics department of Columbia University in the fall of 1949. He went on to accept a position at Bell Labs in late 1951. He left in 1961 to join the faculty at Stanford University as a professor. He remained at Stanford until he retired to emeritus status in 1996. Although his research focused on optics, in particular, lasers and their use in spectroscopy, he also pursued investigations in the areas of superconductivity and nuclear resonance. Schawlow shared the 1981 Nobel Prize in Physics with Nicolaas Bloembergen and Kai Siegbahn for their contributions to the development of laser spectroscopy. Schawlow coauthored the widely used text Microwave Spectroscopy (1955) with Charles Townes. Schawlow and Townes were the first to publish the theory of laser design and operation in their seminal 1958 paper on "optical masers", although Gordon Gould is often credited with the "invention" of the laser, due to his unpublished work that predated Schawlow and Townes by a few months. The first working laser was made in 1960 by Theodore Maiman. In 1991, the NEC Corporation and the American Physical Society established a prize: the Arthur L. Schawlow Prize in Laser Science. The prize is awarded annually to "candidates who have made outstanding contributions to basic research using lasers."

Spectroscopists

Israel Isaac Rabi was born on July 29, 1898, into a Polish-Jewish Orthodox family in Rymanów, Galicia, in what was then part of Austria-Hungary but is now Poland. Soon after he was born, his father, David Rabi, emigrated to the United States. The younger Rabi and his mother, Sheindel, joined David there a few months later, and the family moved into a two-room apartment on the Lower East Side of Manhattan. At home the family spoke Yiddish. When Rabi was enrolled in school, Sheindel said his name was Izzy, and a school official, thinking it was short for Isidor, put that down as his name. Henceforth, that became his official name. Later, in response to anti-Semitism, he started writing his name as Isidor Isaac Rabi, and was known professionally as I.I. Rabi. To most of his friends and family, including his sister Gertrude, who was born in 1903, he was known simply by his last name. In 1907, the family moved to Brownsville, Brooklyn, where they ran a grocery store. As a boy, Rabi was interested in science. He read science books borrowed from the public library and built his own radio set. His first scientific paper, on the design of a radio condenser, was published in Modern Electrics when he was in elementary school. After reading about Copernican heliocentrism, he became an atheist. "It's all very simple", he told his parents, adding, "Who needs God?" As a compromise with his parents, for his Bar Mitzvah, which was held at home, he gave a speech in Yiddish about how an electric light works. He attended the Manual Training High School in Brooklyn, from which he graduated in 1916. Later that year, he entered Cornell University as an electrical engineering student, but soon switched to chemistry. After the American entry into World War I in 1917, he joined the Student Army Training Corps at Cornell. For his senior thesis, he investigated the oxidation states of manganese. He was awarded his Bachelor of Science degree in June 1919, but since at the time Jews were largely excluded from employment in the chemical industry and academia, he did not receive any job offers. He worked briefly at the Lederle Laboratories, and then as a bookkeeper.

Spectroscopists

Khitrova was born in Saint Petersburg, and has degrees in physics from Yerevan State University, Brooklyn College, and New York University, where she completed her Ph.D. She came to the University of Arizona as a researcher in 1986, married Arizona professor Professor Hyatt M. Gibbs in 1986, was given tenure as an associate professor in 1997, and became full professor in 2002.

Spectroscopists

Filizola's awards and honors include the title of European doctor in biotechnology from the European Association for Higher Education in Biotechnology in Genova, Italy (1999), a National Research Service Award from NIDA (2002), The Doctor Harold and Golden Lamport Award for Excellence in Basic Research from Mount Sinai School of Medicine (2008), and an Independent Scientist Award from NIDA (2009–present). She is also a member of the Faculty of 1000 for Pharmacology and Drug Discovery since 2013.

Computational Chemists

Stuart studied her BSc at the University of Sydney in 1987, tutoring at the university for 3 years, then studied a MSc biophysical chemistry, graduating in 1990. Stuart then moved to the UK and studied a PhD in polymer engineering at Imperial College London, graduating in 1993. Stuart then began lecturing in Physical Chemistry at the University of Greenwich for 2 years before returning to Australia to lecture at the University of Technology Sydney.

Spectroscopists

Major-General Edward Robert Festing (10 August 1839 – 16 May 1912), English army officer, chemist, and first Director of the Science Museum in London. He contributed to infrared spectroscopy research with Sir William Abney in the 1880s. Festing was born in Frome, Somerset, the son of Richard Grindall Festing and Eliza Mammatt. He was educated at Carshalton and King's College School. He was transferred to the Royal Military Academy at Woolwich and then "gazetted" as a lieutenant in the Royal Engineers at the age of only fifteen. With Sir William de Wiveleslie Abney (also a graduate of the Royal Military Academy, Woolwich), Festing studied the infrared absorption spectra of a number of organic and inorganic chemical compounds. In 1881, they established that the absorption bands were associated with groups of atoms in the molecules rather than the entire molecule. They postulated the correlation of different bands to specific groupings, for instance the nitro group in nitrobenzene. In 1885, Abney and Festing developed a colour photometer and undertook a range of colour measurements. E. R. Festing joined the South Kensington Museum in 1864. He became one of two assistant directors at the South Kensington Museum. On the retirement of the Director of the museum, Sir Philip Cunliffe-Owen, in 1893, the museum was split into an Art Museum (which subsequently became known as the Victoria and Albert Museum) and a Science Museum. Festing became the first Director of the newly formed Science Museum. Festing was elected a Fellow of the Royal Society (FRS) on 4 June 1886. He was appointed a Companion of the Order of the Bath (CB) in the 1900 New Year Honours list on 1 January 1900 (the order was gazetted on 16 January 1900), and he was invested by Queen Victoria at Windsor Castle on 1 March 1900. He was buried on the western side of Highgate Cemetery His grave has no headstone or marker.

Spectroscopists

Hammes-Schiffer completed her B.A. in chemistry at Princeton University in 1988. She completed her Ph.D. in chemistry at Stanford University in 1993 after working with Hans C. Andersen. She then worked with John C. Tully at AT&T Bell Laboratories as a postdoctoral research scientist.

Computational Chemists

James R. Chelikowsky is a professor of physics, chemical engineering, and chemistry at The University of Texas at Austin. He is the director of the Institute for Computational Engineering and Sciences' Center for Computational Materials. He holds the W.A. "Tex" Moncrief Jr. Chair of Computational Materials.

Computational Chemists

*University of Wisconsin-Milwaukee Ernest Spaights Plaza Award *Optical Society of America Esther Hoffman Beller Award. * Esther Hoffman Beller Medal 1993 *American Association of Physics Teachers Robert A. Millikan award, 1988 Elected Fellow of the American Association for the Advancement of Science

Spectroscopists

Derek A. Long (11 August 1925 – 16 July 2020) was a professor of structural chemistry at the University of Bradford, working in the field of Raman spectroscopy.

Spectroscopists

Johannes (Janne) Robert Rydberg (; 8 November 1854 – 28 December 1919) was a Swedish physicist mainly known for devising the Rydberg formula, in 1888, which is used to describe the wavelengths of photons (of visible light and other electromagnetic radiation) emitted by changes in the energy level of an electron in a hydrogen atom.

Spectroscopists

Baer holds more than 70 patents and his commercial products have received many industry awards for design innovation

Spectroscopists

In January 2006, a book (in Dutch) appeared in The Netherlands, written by Sybe Rispens, entitled Einstein in the Netherlands. One chapter of this book discusses the relationship between Albert Einstein and Debye. Rispens discovered documents that, as he believed, were new and proved that, during his directorship of the Kaiser Wilhelm Society, Debye was actively involved in cleansing German science institutions of Jewish and other "non-Aryan elements". Rispens records that on December 9, 1938, Debye wrote in his capacity as chairman of the Deutsche Physikalische Gesellschaft (DPG) to all the members of the DPG: In light of the current situation, membership by German Jews as stipulated by the Nuremberg laws, of the Deutsche Physikalische Gesellschaft cannot be continued. According to the wishes of the board, I ask of all members to whom these definitions apply to report to me their resignation. Heil Hitler! Many biographies published before Rispens work, state that Debye moved to the US because he refused to accept German citizenship forced on to him by the Nazis. He planned his departure from Germany during a visit with his mother in Maastricht in late 1939, boarded a ship in Genoa in January 1940 and arrived in New York in early February 1940. He immediately sought a permanent position in the US and accepted such an offer from Cornell in June 1940. That month, he crossed the US border into Canada and returned within days on an immigration visa. He was able to get his wife out of Germany and to the US by December 1940. Although his son already was in the US before he departed, Peter Debyes 19-year-old daughter and his sister-in-law did not leave. They lived in his official residence in Berlin and were supported by Debye's official Berlin wages (he carefully maintained an official leave of absence for this purpose). Further, Rispens alleges that Albert Einstein in the first half of 1940 tried to prevent Debye from being appointed in the United States at Cornell. Einstein allegedly wrote to his American colleagues: "I know from a reliable source that Peter Debye is still in close contact with the German (Nazi) leaders" and, according to Rispens, called upon his colleagues to do "what they consider their duty as American citizens". To support this, Rispens refers to a well-known letter from Debye to Einstein and Einstein's response to it. Van Ginkel investigated 1940 FBI reports on this matter and traced the "reliable source" to a single letter directed to Einstein and written by someone whose name is lost. This person was not known personally to Einstein and, according to Einstein, probably did not know Debye personally either. Moreover, this accusatory letter did not reach Einstein directly but was intercepted by British censors who showed it to Einstein. Einstein sent the British agent with the letter to Cornell, and the Cornell authorities told Debye about the affair. Thereupon Debye wrote his well-known 1940 letter to Einstein to which Einstein answered. The latter two letters can be found in the published Einstein correspondence. Rispens alleges that Debye sent a telegram to Berlin on 23 June 1941 informing his previous employers that he was able and willing to resume his responsibilities at the Kaiser Wilhelm Institut, presumably to maintain his leave of absence and keep the Berlin house and wages available for his daughter. A copy of this telegram has not been recovered thus far. In summer 1941, Debye filed his intent to become a US citizen and was quickly recruited in the US to participate in Allied War research. It has been well documented in many biographies, and also in Rispens' book, that Debye and Dutch colleagues helped his Jewish colleague Lise Meitner in 1938–1939 (at great risk to himself and his family) cross the Dutch-German border to escape Nazi persecution and eventually obtain a position in Sweden. Predating Rispens work, and in contrast to it, an article by Rechenberg appeared 18 years earlier concerning Debyes letter. The article describes Debye's missive in more detail and presents a very favorable picture of Debye in his efforts to resist Nazi activists. Moreover, this article points out that Max von Laue, well known for his anti-Nazi views, gave his approval to the letter from the DPG chairman.

Spectroscopists

*2024 Sheikh Saud International Prize for Material Science *2020 John Scott Award & Medal *2017 Honorary D.Sc., University of St. Andrews, Scotland *2014 C.V. Raman Chair, The Indian Academy of Sciences *2013 Medal Lecturer, The World Academy of Sciences (TWAS) *2011 Boys – Rahman Medal, The Royal Society of Chemistry UK *2008 Peter Debye Award in Physical Chemistry, The American Chemical Society *2008 Hinshelwood Lectures, University of Oxford, UK *2004 CECAM Prize, The European Physical Society *2003 Schlumberger Visiting Professor, Universities of Oxford & Cambridge UK *1999 American Physical Society Award in Computational Physics *1997 Linnett Lectures University of Cambridge UK *1997 Miller Visiting Professor, University of California Berkeley *1995 Humboldt Research Award, MPI Stuttgart Germany *1988 Néel Visiting Professor, ENS Lyon France *1982 Visiting Professor, Australian National University, Canberra Australia *1982 JSPS Visiting Professor, University of Kyoto, Japan *1975 Visiting Professor, Université Paris VI France

Computational Chemists

* Clayton Prize, Institute of Mechanical Engineers, 1957 * Alexander von Humboldt Senior US Scientist Award, University of Bonn, Germany, 1984 * Fellow of the National Academy of Sciences, 1997 * Golden Plate Award of the American Academy of Achievement, 1997 * Fellow of the American Academy of Arts and Sciences, 1998 * International Prize for New Materials, American Physical Society, 1992 * Nobel Prize in Chemistry, Royal Swedish Academy of Sciences, 1996 * Johannes Marcus Marci Award in Spectroscopy, 1998 * Centenary Medal, Royal Society of Chemistry, 1999 * Honorary Fellow, The Royal Society of New Zealand, 2001 * University of Bochum Research Prize, 2004 * National Historic Chemical Landmark, American Chemical Society, 2010 * Citation for Chemical Breakthrough Award, Division of History of Chemistry, American Chemical Society, 2015 * Fellow of the Optical Society of America

Spectroscopists

Lin and her lab use molecular dynamics simulations to understand how the structure, stability, and interactions of collagen are perturbed by Gly to Ser substitutions, a very common type of Gly missense mutations in patients with Osteogenesis Imperfecta (OI), and Ser phosphorylation. Their results suggest a new possible mechanism underlying OI pathology, specifically that mutations may significantly disrupt the triple-helical structure of collagen and render it susceptible to non-collagenase proteolytic enzymes.

Computational Chemists

Gerhard Heinrich Friedrich Otto Julius Herzberg, (; December 25, 1904 – March 3, 1999) was a German-Canadian pioneering physicist and physical chemist, who won the Nobel Prize for Chemistry in 1971, "for his contributions to the knowledge of electronic structure and geometry of molecules, particularly free radicals". Herzberg's main work concerned atomic and molecular spectroscopy. He is well known for using these techniques that determine the structures of diatomic and polyatomic molecules, including free radicals which are difficult to investigate in any other way, and for the chemical analysis of astronomical objects. Herzberg served as Chancellor of Carleton University in Ottawa, Canada from 1973 to 1980.

Spectroscopists

One of the most difficult operations of practical optics during the time period of Fraunhofer's life was accurately polishing the spherical surfaces of large object glasses. Fraunhofer invented the machine which rendered the surface more accurately than conventional grinding. He also invented other grinding and polishing machines and introduced many improvements into the manufacture of the different kinds of glass used for optical instruments, which he always found to have flaws and irregularities of various sorts. In 1811, he constructed a new kind of furnace, and during his second melting session when he melted a large quantity of glass, he found that he could produce flint glass, which, when taken from the bottom of a vessel containing roughly 224 pounds of glass, had the same refractive power as glass taken from the surface. He found that English crown glass and German table glass both contained defects which tended to cause irregular refraction. In the thicker and larger glasses, there would be even more of such defects, so that in larger telescopes this kind of glass would not be fit for objective lenses. Fraunhofer accordingly made his own crown glass. It was thought that the accurate determination of power for a given medium to refract rays of light and separate the different colors which they contain was impeded by the absence of precise boundaries between the colors of the spectrum, making it difficult to accurately measure the angle of refraction. To address this limitation, Fraunhofer performed a series of experiments for the purpose of producing homogeneous light artificially, and unable to effect his object in a direct way, he did so by means of lamps and prisms.

Spectroscopists

Cooke was an officer in the Madras Army, who, being home on leave, was attending some lectures on anatomy at the University of Heidelberg, where, on 6 March 1836, he witnessed a demonstration with the telegraph of professor Georg Munke, and was so impressed with its importance, that he forsook his medical studies and devoted all his efforts to the work of introducing the telegraph. He returned to London soon after, and was able to exhibit a telegraph with three needles in January 1837. Feeling his want of scientific knowledge, he consulted Michael Faraday and Peter Roget (then secretary of the Royal Society): Roget sent him to Wheatstone. At a second interview, Cooke told Wheatstone of his intention to bring out a working telegraph, and explained his method. Wheatstone, according to his own statement, remarked to Cooke that the method would not act, and produced his own experimental telegraph. Finally, Cooke proposed that they should enter into a partnership, but Wheatstone was at first reluctant to comply. He was a well-known man of science, and had meant to publish his results without seeking to make capital of them. Cooke, on the other hand, declared that his sole object was to make a fortune from the scheme. In May they agreed to join their forces, Wheatstone contributing the scientific, and Cooke the administrative talent. The deed of partnership was dated 19 November 1837. A joint patent was taken out for their inventions, including the five-needle telegraph of Wheatstone, and an alarm worked by a relay, in which the current, by dipping a needle into mercury, completed a local circuit, and released the detent of a clockwork. The five-needle telegraph, which was mainly, if not entirely, due to Wheatstone, was similar to that of Schilling, and based on the principle enunciated by Ampère – that is to say, the current was sent into the line by completing the circuit of the battery with a make and break key, and at the other end it passed through a coil of wire surrounding a magnetic needle free to turn round its centre. According as one pole of the battery or the other was applied to the line by means of the key, the current deflected the needle to one side or the other. There were five separate circuits actuating five different needles. The latter were pivoted in rows across the middle of a dial shaped like a diamond, and having the letters of the alphabet arranged upon it in such a way that a letter was literally pointed out by the current deflecting two of the needles towards it.

Spectroscopists

*Smalley, R.E. [https://www.osti.gov/biblio/527522-supersonic-bare-metal-cluster-beams-final-report "Supersonic bare metal cluster beams. Final report"], Rice University, United States Department of Energy—Office of Energy Research, (October 14, 1997). *Smalley, R.E. [https://www.osti.gov/biblio/5545551-supersonic-metal-cluster-beams-technical-progress-report-march-april "Supersonic Bare Metal Cluster Beams. Technical Progress Report, March 16, 1984 – April 1, 1985"], Rice University, United States Department of Energy—Office of Basic Energy Sciences, (January 1, 1985).

Spectroscopists

He was born in Edinburgh the only child of David Swan, engineer, and his wife, Janet Smith. Janet was the daughter of Thomas Smith, lighthouse engineer. Her sister was married to the famous lighthouse engineer, Robert Stevenson. He was privately educated at home, 7 Union Street, and appears to have been both lonely and unhappy. His father died in 1821 when he was only three. His mother took in lodgers to make ends meet, including at one point Thomas Carlyle. William's only childhood friend is said to have been his cousin, Thomas Stevenson (father of Robert Louis Stevenson). At 17 he was sent to Edinburgh University to study divinity. He "came out" during the Disruption of 1843 and became an active member of the Free Church, teaching mathematics and physics at the Free Church Normal School. From there he move to teach the same subjects at the Scottish Naval and Military Academy in Edinburgh. In 1848 he was elected a fellow of the Royal Society of Edinburgh his proposer being Philip Kelland. He served as Secretary to the society 1858-59. In the 1850s "William Swan, teacher of mathematics" was living at 4 Duke Street in the New Town, renamed Dublin Street in the 1920s. In 1856, Swan applied to join the faculty at Marischal College, but was passed over in favor of James Clerk Maxwell. Swan subsequently joined the Scottish Naval and Military Academy, where in 1857 he demonstrated that Fraunhofers D-line in the spectrum of the Sun was caused by the presence of sodium; in this respect, he is sometimes credited as having inspired Gustav Kirchhoffs research into the same issue. In 1859, he joined the faculty of Saint Andrews University, where he was a professor of natural philosophy until 1880. He was awarded two honorary doctorates (LLD): firstly from Edinburgh University in 1869, secondly from St Andrews University in 1886. He died of heart disease at his wife's country house of Ardchapel in Shandon in western Scotland. He is buried with his wife Georgina (who pre-deceased him) in Warriston Cemetery in northern Edinburgh. The grave lies in the narrow walled area between the main cemetery and the Water of Leith Walkway (in the south-east corner of the main cemetery.

Spectroscopists

Victor Schumann (21 December 1841 – 1 September 1913) was a physicist and spectroscopist who in 1893 discovered the vacuum ultraviolet. Schumann wished to study the "Extreme Ultraviolet" region. For this, he used a prism and lenses in fluorite instead of quartz allowing himself to be the first to measure spectra below 200 nm. Oxygen gas would absorb the radiation with a wavelength below 195 nm, but Schumann placed the entire apparatus under vacuum. He prepared his own photographic plates with a reduced layer of gelatin. He published on the Hydrogen line in the spectrum of Nova Aurigae and in the spectrum of vacuum tubes. His work opened the way to atomic emission spectroscopy, leading eventually to the discovery of the hydrogen spectral lines series (Lyman series) by Theodore Lyman in 1914.

Spectroscopists

Hänsch introduced intracavity telescopic beam expansion to grating tuned laser oscillators thus producing the first narrow-linewidth tunable laser. This development has been credited with having had a major influence in the development of further narrow-linewidth multiple-prism grating laser oscillators. In turn, tunable narrow-linewidth organic lasers, and solid-state lasers, using total illumination of the grating, have had a major impact in laser spectroscopy.

Spectroscopists

Smith received a BSc and PhD in chemistry at University of Canterbury in Christchurch, New Zealand before postdoctoral work at University of California, Berkeley (1991-1993) and the University of Göttingen (Humboldt Fellow 1989–1991). In 1993 he started work at the University of Queensland, eventually heading up the Computational Reaction Dynamics Group before moving on to Oak Ridge National Laboratory in 2011 where he was the director of the Center for Nanophase Materials Sciences. After leaving Oak Ridge in 2017 Smith moved to the University of New South Wales where he founded the Integrated Materials Design Centre. Smith left the University of New South Wales at the end of 2017 to become director of NCI Australia and professor of computational nanomaterials science and technology at Australian National University.

Computational Chemists

George "G." Michael Bancroft, , (born 1942) is a Canadian chemist and emeritus professor at the University of Western Ontario. One of the world's leading experts in Mössbauer spectroscopy, he is also known as one of the driving forces behind the development of synchrotron science in Canada, becoming the first director of the Canadian Light Source synchrotron after a 30-year "Odyssey".

Spectroscopists

Giovanni Vignale is the author of several works of fiction and poetry. Some of his poems have been translated from English to Spanish by the renowned Cuban poet Juana Rosa Pita and are published in both languages in Time is Alive/El Tiempo Esta Vivo. The dramatic quartet Odradek and Billy Bass Drink to the End of the World' features four short plays patterned after the classic Japanese Noh drama form. About this book Juana Rosa Pita writes: "Suspended in space and time, his characters are pure abstractions, speaking devices, neither alive nor dead, in fact, not even human... Poetry, prose and drama conspire to make these plays an unforgettable reading experience".

Computational Chemists

Jürgen Gauß (Juergen Gauss) is a German theoretical chemist. Gauß was born on 13 August 1960 in Konstanz. He studied chemistry at the University of Cologne from 1979 till 1984. After finishing his PhD thesis on abinitio calculations at the University of Cologne in 1988, he did postdoctoral studies at the University of Washington in Seattle and at the University of Florida in Gainesville about quantum theory. He did his habilitation in 1994 at the University of Karlsruhe on abinitio calculations of NMR-shifts. In 1995, he became professor at the University of Mainz. In 2005, he received the Gottfried Wilhelm Leibniz Prize of the Deutsche Forschungsgemeinschaft, which is the highest honour awarded in German research.

Computational Chemists

Donald is the author of over 100 publications. A representative selection includes: * [http://doi.acm.org/10.1145/174147.174150 Kinodynamic Motion Planning]. Bruce Randall Donald, Patrick G. Xavier, John F. Canny, John H. Reif. J. ACM 40(5): 1048-1066 (1993). * [http://www.jbc.org/content/278/52/52980.full Phylogenetic classification of protozoa based on the structure of the linker domain in the bifunctional enzyme, dihydrofolate reductase-thymidylate synthase]. Robert H. O’Neil, Ryan H. Lilien, Bruce R. Donald, Robert M. Stroud and Amy C. Anderson. J Biol Chem 2003. 278(52):52980-7.

Computational Chemists