Gaussian Headquarters, Wallingford, CT
Research & Development
Michael Frisch is the President of Gaussian. He obtained his Ph.D. from Carnegie-Mellon University under Professor John Pople. His research interests are methods for representing electron correlation, density functional theory, and theoretical prediction of spectra. Full Profile…
Gary Trucks is the Vice President of Research and Development at Gaussian. He got his Ph.D. from the University of Florida with Professor Rod Bartlett. His research interests are post-SCF methods, ground and excited state properties, and calibration and development of Density Functional Theory. Full Profile…
Jim Cheeseman is a Research Scientist for Gaussian. He graduated from McMaster University of Hamilton, Ontario with a Ph.D. in Theoretical Chemistry, studying under Professor Richard Bader. He researches chiroptical methods. Full Profile…
Giovanni Scalmani is Principal Scientist at Gaussian. He got his Ph.D. from the University of Milan. He was a researcher at the University of Naples “Frederico II.” His research interests include Density Functional Theory (DFT), Time Dependent DFT (TD-DFT) and the two-component Generalized Kohn-Sham (GKS) methods. Full Profile…
Alek Marenich is a Research Scientist for Gaussian. He got his Ph.D. from Ivanovo State University of Chemistry and Technology in the Russian Federation. Previously, he was a Research Associate at the University of Minnesota under Donald Truhlar. Full Profile…
Jingjing Zheng is a Senior Scientist for Gaussian. He studied at the University of Science and Technology of China (Hefei, China) where he obtained his Ph.D. Previously, he was a Research Associate at the University of Minnesota under Donald Truhlar. His research interests are quantum mechanical methods and variational transition state theory. Full Profile…
Fernando Clemente is the Director of Technical Support for Gaussian. He got his Ph.D. from the Universidad de Extremadura in Badajoz, Spain. His post doc was with Professor Ken Houk at the University of California, Los Angeles. His research interests are DFT methods and enzyme catalysis. Full Profile…
Lufeng Zou provides Technical Support for Gaussian. He studied at the University of California in Los Angeles, where he obtained his Ph.D. studying with Professor Ken Houk. His research interests include stereoselectivity in organic reactions. Full Profile…
Jim Hess is the Operations Manager for Gaussian. Jim’s duties include contract negotiation, business development, and maintaining relationships with maintenance customers, business partners, and sales agents. Full Profile…
Amy Crusberg serves as the Customer Service Manager for Gaussian. She supervises the customer service staff. Full Profile…
Joanne Marcinczyk is a Business Project Manager and Software Licensing Specialist for Gaussian. Full Profile…
Joan Cei is an Executive Assistant to the President of Gaussian as well as the Research and Development staff. Full Profile…
Gaussian, Inc., Pittsburgh, PA
Southern Connecticut State University, New Haven, CT
Ericka Barnes is an Assistant Professor in the Chemistry Department at Southern Connecticut State University. Her research interests are in the field of computational quantum chemistry.
Temple University, Philadelphia, PA
George Petersson is Professor of Chemistry Emeritus at Wesleyan University and a member of the Volunteer Faculty at Temple University. His research interests include high accuracy theoretical methods for the calculation of molecular energies. Full Profile…
York College, York, PA
James Foresman is an Associate Professor of Chemistry at York College in Pennsylvania, as well as the Chairman of the Department of Physical Sciences. He is the co-author of Exploring Chemistry with Electronic Structure Methods. His research interests include the development of computer models to address a wide-range of chemical problems. Full Profile…
University of Toronto, Toronto, ON
Artur Izmaylov is an Assistant Professor of Chemistry at the University of Toronto. His research interests include many-body methods and nonadiabatic dynamics. Full Profile…
Indiana University, Bloomington, IN
Krishnan Raghavachari is Professor of computational quantum chemistry, physical chemistry, materials chemistry at Indiana University in Bloomington, Indiana. His research focuses on new developments in electronic structure theory along with challenging applications to investigate the structures and properties of molecules and materials. Full Profile…
Indiana University, Bloomington, IN
Srinivasan Iyengar is an Assistant Professor of Chemistry and Physics at Indiana University. His research interests include Ab Initio molecular dynamics. Full Profile…
Wayne State University, Detroit MI
Berny Schlegel is Distinguished Professor of Physical Chemistry at Wayne State University in Detroit, Michigan. His research interests include all forms of chemistry–organic, physical, and biochemistry–as well as materials science. Full Profile…
- Adam Birkholz
- Paul Hoerner
Auburn University, Auburn, AL
Vince Ortiz is the Ruth W. Molette Professor of Chemistry at Auburn University, as well as the Chairman of Chemistry and Biochemistry Department. His research interests are employing propagator concepts and methods, especially those of electron propagator theory, for the direct, rigorous calculation of observables and succinct expression of model systems. Full Profile…
Other Group Members:
- Olga Dolgounitcheva
Héctor Corzo is a graduate student at Auburn University, studying under Professor Vince Ortiz.
University of Minnesota, Minneapolis, MN & Peking University Shenzhen Graduate School, Shenzhen, China
Jiali Gao is Professor of Chemistry at the University of Minnesota and at Peking University Shenzhen Graduate School. His research interests are the simulation and modeling of materials, fluids, and biomacromolecules, as well as the development of QM/MM methods for processes involving changes in electronic structure. Full Profile…
University of Kansas, Lawrence, KS
Marco Caricato is an Assistant Professor in the Department of Chemistry at the University of Kansas. From 2010 to 2014 he was a Research Scientist at Gaussian. His research interests are in Excited State properties in solution, and Coupled-cluster theory. Full Profile…
Texas Christian University, Fort Worth, TX
Ben Janesko is an Assistant Professor at Texas Christian University in the Department of Chemistry. His research interests include RPA correlation, local hybrid functionals, and “Rung 3.5” density functionals. Full Profile…
Rice University, Houston, TX
Gustavo Scuseria is the Robert A. Welch Professor of Chemistry, Physics & Astronomy, Materials Science and NanoEngineering at Rice University in Texas. He has contributed Linear scaling methods, TD-DFT excited States, DFT functionals, and other items to Gaussian. Full Profile…
- Thomas Henderson
- Roman Schutski
- Ethan Qiu
- Jacob Wahlen-Strothman
- Jinmo Zhao
- Kyle Throssell
University of California, Merced, Merced, CA
Hrant Hratchian is an Assistant Professor at the University of California, Merced. He was previously a Research Scientist at Gaussian, Inc. from 2008 to 2013. His research interests are electronic structure of spin-coupled complexes and methods for exploring potential energy surfaces. Full Profile…
University of Washington, Seattle, WA
Xiaosong Li is Harry and Catherine Jaynne Boand Endowed Professor of Chemistry at the University of Washington. His research interests are development of relativistic many-body theories, algorithms for geometry optimization and linear scaling self-consistent field and efficient molecular dynamics for large systems, and using time-domain TDDFT methods for studies of reactions on condensed matter surfaces. Full Profile…
- Greta Donati
- Franco Egidi
- Joshua Goings
- Patrick Lestrange
- David Lingerfelt
- Alessio Petrone
- David Williams-Young
Eötvös Loránd Tudományegyetem (ELTE), Budapest, Hungary
Ödön Farkas is an Associate Professor in the Department of Organic Chemistry at ELTE. His research interests are in Conformational analysis by computational and chiroptical methods. Full Profile…
Imperial College, London, UK
Mike Robb is the Chairman of the Chemistry Department at Imperial College in London, United Kingdom. He also teaches as a Professor at the same location. His research interests include Multi-Configuration SCF methods (MC-SCF). Code developed by him and his colleagues first appeared in Gaussian 90. Full Profile…
Imperial College, London, UK
Mike Bearpark is Professor of Computational Chemistry at Imperial College in London, United Kingdo,. Full Profile…
École Nationale Supérieure de Chimie de Paris (Chimie ParisTech), Paris, France
Carlo Adamo is Professor at L’Ecole Nationale Supérieure de Chimie de Paris. He has contributed solvation methods and DFT functionals to Gaussian. His research interests include development and validation of new exchange-correlation functionals and Time-Dependent DFT, as well as applications involving magnetic properties of Organic radical, excited electronic states, properties of transition metal complexes, and proton transfer. Full Profile…
Università degli Studi di Napoli “Federico II”, Naples, Italy
Nadia Rega is an Associate Professor in the Department of Chemical Sciences at the University of Naples “Frederico II.” She has contibuted QM/MM research to Gaussian. Her research interests include the density functional theory (DFT) along with excited state proton transfer reactions. Full Profile…
- Umberto Raucci
- Maria Gabriella Chiariello
Istituto di Biostrutture e Bioimmagini, Consiglio Nazionale delle Ricerche (IBB-CNR), Naples, Italy
Roberto Improta is a Senior Researcher at the Institute for Biostructures and Bioimaging (IBB-CNR) in Naples. He has contributed research to Gaussian in the form of DFT Functionals, and PCM Solvation Methods. Full Profile…
Università degli Studi di Parma, Parma, Italy
Roberto Cammi is Professor of Chemical Physics and Theoretical Chemistry at the University of Parma. His research interests include solvation thermodynamics and cavity field effects for chiroptical response functions of molecules in solution. Full Profile…
Università di Pisa, Pisa, Italy
Benedetta Mennucci is Professor of Physical Chemistry at the University of Pisa. She has contributed research into Polarizable Continuum Model (PCM) solvation methods to Gaussian. Full Profile…
Stefano Caprasecca is a Post Doc at the University of Pisa in Italy. His research interests include Electron-molecule scattering and Complex polarizable environments in QM/MM calculations. Full Profile…
Filippo Lipparini is Assistant Professor of Physical Chemistry at the University of Pisa. He has made contributions to the variational formulation of PCM solvation models and polarizable QM/MM models. Full Profile…
Scuola Normale Superiore, Pisa, Italy
Vincenzo Barone is Professor of Theoretical and Computational Chemistry at the Scuola Normale Superiore di Pisa. His research interests include solvation theory and computational spectroscopy. Full Profile…
Ivan Carnimeo is a post doc at the Scuola Normale Superiore di Pisa in Italy. His research interests are in the development of multiscale approaches for computational spectroscopy. Full Profile…
Julien Bloino is an Associate Professor at the Scuola Normale Superiore di Pisa. His research interests are development and implementation of efficient models to compute vibrationally-resolved electronic spectra. Full Profile…
Quantum Chemistry Research Institute (QCRI), Kyoto, Japan
Hiroshi Nakatusji is the Director of the Quantum Chemistry Research Institute of Kyoto, Japan. He has contributed Symmetry Adapted Cluster/Configuration Interaction (SAC-CI) to Gaussian. His Research Interests include excited state molecular electronic structure. Full Profile…
Institute of Molecular Science, Okazaki, Japan
Masahiro Ehara is a Professor at the Research Center for Computational Science at the Institute for Molecular Science in Okazaki, Japan. He has contributed Symmetry Adapted Cluster/Configuration Interaction (SAC-CI) to Gaussian. His research interests include electronic structure theory based on cluster expansion for excited states and catalytic reactions on surface and nano-clusters. Full Profile…
Indian Institute of Science, Bengaluru, India
Jayashree Nagesh is a Ramanujan Faculty Fellow in the Solid state and structural chemistry unit, Indian Institute of Science, Bengaluru, India. Her research interests are in method development and their application in molecular photophysical studies, singlet fission in solar cell applications, electronic energy transfer in chemistry and biology and photoprotective pathways in biology. Full Profile…
University Pierre et Marie Curie, Paris, France
Jean-Phillip Piquemal received his PhD in theoretical chemistry from UPMC and now works as a full professor at Sorbonne Universite. He devotes his research to theoretical chemistry, with topics including methodological developments in the fields of multiscale quantum chemistry, new generation polarizable force fields and quantum chemical topology.
John Pople Links
Reflections on John Pople’s Career and Legacy
by Michael J. Frisch
17 March 2004
During his more than 50 years in chemistry, John really had at least four careers, working in:
- Statistical Mechanics
- Semi-Empirical Theory
- Ab Initio Electronic Structure Theory.
Moreover, his accomplishments in each area would be remarkable had that been his only area of work.
From Statistical Mechanics to NMR to Semi-Empirical Methods
Although John wrote a few early papers on computational electronic structure theory while a graduate student with Sir John Lennard-Jones , his primary interest for his first decade of research was in Statistical Mechanics. The model for liquid water he published in the 1950s  remained the standard for many years.
Next, John became interested in the then-emerging field of NMR, publishing important papers on the underlying theory  and also coauthoring the then-standard textbook on the subject . As this work progressed, he developed an interest in computing properties such as chemical shifts, which lead him to electronic structure. Since first principles (non-empirical) methods appeared to be far too expensive computationally to apply to typical problems in organic chemistry, John used and developed semi-empirical models. Simultaneously with Pariser and Parr, John developed what became known as the PPP model for p -excitations , one of the earliest successful semi-empirical models. In spite of its simplicity, this model still has its uses 40 years later.
Eventually, John’s work with semi-empirical models drew him away from NMR altogether. Along with various students, he developed the widely used CNDO  and INDO  models. In the course of this work, John articulated and clarified the approximations used both in this generation of models  and by other researchers such as Michael Dewer in later models such as MINDO/3 , MNDO, and AM1. From the beginning of his semi-empirical electronic structure work, John had the goal of creating computer programs which would be useful to chemists who were not experts in the theory. His CNDO/INDO program was one of the most popular distributed through the Quantum Chemistry Program Exchange.
Electronic Structure Theory
After several years of developing successively more accurate and more computationally costly semi-empirical models, John realized that with improvements to the algorithms, it would be possible to make non-empirical (by then called “ab initio”) calculations fast enough to apply to significant problems . This type of theory remained his focus for the final three decades of his work. His work on the STO-3G basis set remains among his most cited papers .
After he and his student Warren Hehre had developed a new algorithm which made Hartree-Fock calculations much faster than had previously been thought possible, the resulting program, Gaussian 70 , was made available through QCPE. Earlier programs by other theorists (e.g., PolyAtom) had been distributed to and used by many theoretical research groups, but because of both its speed and ease of use, Gaussian 70 became the first ab initio program used by significant numbers of non-theorists.
During the 1970s, John and his group worked on more sophisticated ab initio methods, including larger basis sets (6-31G, 6-31G* , etc.) and going beyond Hartree-Fock to include electron correlation, examining several rival methods which had been advocated by different researchers, including Configuration Interaction, Perturbation Theory and Coupled Cluster .
Through the 1970s and 1980s John was one of the leaders (along with Bartlett and Schaefer) in the development of models and algorithms for SCF, CI , perturbation theory , and coupled cluster methods. One of his most notable accomplishments was a 1979 paper with Schlegel, Raghavachari, and Binkley which presented both the first practical algorithm for analytic Hartree-Fock second derivatives and the first gradients for the MP2 correlated method . Work in John’s group continued in these areas, as well as on improved algorithms for integral evaluation, Hartree-Fock calculations, resulting in the HGP  and PRISM  algorithms, and on direct and semi-direct algorithms for large MP2 calculations .
In the 1990s, John saw that Becke had applied the Model Chemistry approach (see below) to various density functional models and demonstrated that some of these functionals had sufficient accuracy to be useful for chemical problems, and began to work in this area as well . Work in recent years has focused on the development of the high accuracy Gaussian-1 theory  and its follow-ons.
Model Chemistries: John Pople’s Legacy
In approaching each of these methods in turn, John was guided by his principle of Model Chemistries, an original concept for which he was solely responsible and articulated in a hard-to-find seminal paper . This approach, in which one carefully calibrates the difference between the chemistry predicted by a particular model and that observed in the real world, and then uses the same model for studies of new systems in which the accuracy–and error–of the model is known from the previous calibrations, represented a significant departure from the approach taken in earlier theoretical work.
Traditionally, theorists tried to do the best calculation they could on a particular problem, using different models, basis sets, and so on for each study. As a result, the accuracy of a new calculation was difficult to evaluate even for experts (and impossible for non-expert to even estimate). The consequence so this were two-fold:
- It effectively prevented the application of electronic structure calculations to a broad range of problems.
- It made it extremely difficult for non-experts to use electronic structure calculations as part of their research.
By articulating the principle of model chemistries and then carefully calibrating particular models, John made it possible for people to apply computational models with confidence because they knew to what extent to trust the results. This fundamental principle has been essential to the success of almost all methods in electronic structure theory, not just those originated or favored by John, and has also been essential to the widespread use of electronic structure computations, regardless of which software package is involved. This is undoubtedly John Pople’s most significant contribution, and will still influence the development of the field long after the particular models he developed have become obsolete.
I started as a graduate student of John in 1979, in what turned out to be the middle of his career. Actually, I was one of a succession of graduate students each of whom was widely assumed to be John’s last student, but fortunately this turned out to be far from the case. While I learned about many technical aspects of theory from John, I think that the most valuable wisdom he passed on to me and his other students and post-docs consisted of the principles he applied to his research and the approach he advocated:
- Theorists should compute what is measured not just what is easy to calculate
- Theorists should study systems people care about, not just what is easy or inexpensive to study.
- Models should be calibrated carefully and the results presented with scrupulous honesty about their weaknesses as well as their strengths.
- One should recognize the strengths as well as the weaknesses of other people’s models and learn from them.
- If a model is worth implementing in software, it should be implemented in a way which is both efficient and easy to use. There is no point in creating models which are not useful to other chemists.
These ideas seem as sound to me today as they did when I first learned them from John more than twenty years ago. The goal of making theory a useful tool for all chemists has clearly been adopted by many of his students. As John was very fond of pointing out, his former group members have started a total of five software companies. I would add the note that since all five companies are still in operation after a decade or more, that the people involved have also learned some of John’s other lessons about how to do theory in a way that matters to the field as a whole.
As is often the case with great scientists, John demonstrated a keen ability for putting aside the many non-essential details of a complicated problem, and identifying and focusing on the critical issues. I’m sure that all his students try to follow his example in this, but that none of us would claim to have his talent at it. His passing is a loss to everyone in our field.
- J. A. Pople and Sir John Lennard-Jones. “The Molecular Orbital Theory of Chemical Valency: IV. The Significance of Equivalent Orbitals,” Proc. Roy. Soc. A 202 (1950) 166; J. A. Pople, A. C. Hurley, and Sir John Lennard-Jones, “The Molecular Orbital Theory of Chemical Valency: XVI. A Theory of Paired-electrons in Polyatomic Molecules,” Proc. Roy. Soc. A 220 (1953) 446.
- J. A. Pople, “Molecular Association in Liquids: II. A Theory of the Structure of Water,” Proc. Roy. Soc. A 205 (1951) 163.
- J. A. Pople, “The Theory of Chemical Shifts in Nuclear Magnetic Resonance: I. Induced Current Densities,” Proc. Roy. Soc. A 239 (1957) 541; J. A. Pople, “The Theory of Chemical Shifts in Nuclear Magnetic Resonance: II. Interpretation of Proton Shifts,” Proc. Roy. Soc. A 239 (1957) 550.
- J. A. Pople, W. G. Schneider, and H. J. Bernstein, High Resolution Nuclear Magnetic Resonance (McGraw-Hill, New York, 1959).
- J. A. Pople, “Electron Interaction in Unsaturated Hydrocarbons,” Trans. Faraday Soc. 49 (1953) 1375; J. A. Pople and A. Brickstock, “Resonance Energies and Charge Distributions of Unsaturated Hydrocarbon Radicals and Ions,” Trans. Faraday Soc. 50 (1954) 901. The development of PPP was reviewed in J. A. Pople, “The Origin of PPP Theory,” Int. J. Quant. Chem. 37 (1990) 349 and R. G. Parr, “Parr: On the Genesis of a Theory,” Int. J. Quant. Chem. 37 (1990) 327.
- J. A. Pople and G. A. Segal, “Approximate Self-consistent Molecular Orbital Theory III. CNDO Results for AB2 and AB3 systems,” J. Chem. Phys. 44 (1966) 3289.
- J. A. Pople, D. Beveridge, and P. Dobosh, “Approximate Self-consistent Molecular Orbital Theory V. Intermediate Neglect of Differential Overlap,” J. Chem. Phys. 47 (1967) 2026.
- J. A. Pople, D. P. Santry, and G. A. Segal. “Approximate Self-Consistent Molecular Orbital Theory .I. Invariant Procedures,” J. Chem. Phys. 43 (1965) 129.
- J. A. Pople, “Some Deficiencies of MINDO/3,” J. Am. Chem. Soc. 97 (1975) 5306.
- M. D. Newton, W. A. Lathan, W. J. Hehre, and J. A. Pople, “Self-Consistent Molecular Orbital Methods. III. Comparison of Gaussian Expansion and PDDO Methods Using Minimal STO Basis Sets,” J. Chem. Phys. 51 (1969) 3927.
- W. J. Hehre, R. F. Stewart, and J. A. Pople, “Self-Consistent Molecular Orbital Methods I. Use of Gaussian Expansions of Slater Type Atomic Orbitals,” J. Chem. Phys. 51 (1969) 2657.
- W. J. Hehre, W. A. Lathan, R. Ditchfield, M. D. Newton, and J. A. Pople, Gaussian 70 (Quantum Chemistry Program Exchange, Program No. 237, 1970).
- P. C. Haharan and J. A. Pople, “The Influence of Polarization Functions on Molecular Orbital Hydrogenation Energies,” Theor. Chim. Acta 28 (1973) 213.
- Important papers include: J. S. Binkley and J. A. Pople, “Møller-Plesset Theory for Atomic Ground State Energies,” Int. J. Quant. Chem. 9 (1975) 229; J. A. Pople, J. S. Binkley, and R. Seeger, “Theoretical Models Incorporating Electron Correlation,” Int. J. Quant. Chem. 10 (1976) 1; J. A. Pople, R. Seeger, and R. Krishnan [K. Raghavachari], “Variational Configuration Interaction Methods and Comparison with Perturbation Theory,” Int. J. Quant. Chem. S11 (1977) 149.
- R. Krishnan [K. Raghavachari], H. B. Schlegel, and J. A. Pople, “Derivative Studies in Configuration-Interaction Theory,” J. Chem. Phys. 72 (1980) 4654.
- R. Krishnan [K. Raghavachari] and J. A. Pople, “An Approximate Fourth Order Perturbation Theory of the Electron Correlation Energy,” Int. J. Quant. Chem. 14 (1978) 91; R. Krishnan [K. Raghavachari], M. J. Frisch, and J. A. Pople, “Contribution of Triple Substitutions to the Electron Correlation Energy in Fourth Order Perturbation Theory,” J. Chem. Phys. 72, 4244 (1980).
- J. A. Pople, R. Krishnan [K. Raghavachari], H. B. Schlegel, and J. S. Binkley, “Derivative Studies in Hartree-Fock and Møller-Plesset Theories,” Int. J. Quant. Chem. 513 (1979) 225.
- M. Head-Gordon and J. A. Pople, “A Method for Two-Electron Gaussian Integral and Integral Derivative Evaluation Using Recurrence Relations,” J. Chem. Phys. 89 (1988) 5777.
- P. M. W. Gill, M. Head-Gordon, and J. A. Pople, “An Efficient Algorithm for the Generation of Two-Electron Repulsion Integrals over Gaussian Basis Functions,” Int. J. Quant. Chem. S23 (1989) 269.
- M. J. Frisch, M. Head-Gordon, and J. A. Pople. “A Direct MP2 Gradient-Method” Chem. Phys. Letters 166 (1990) 275; M. J. Frisch, M. Head-Gordon and J. A. Pople. “Semidirect Algorithms for the MP2 Energy and Gradient” Chem. Phys. Letters 166 (1990) 281.
- P. M. W. Gill, B. G. Johnson, J. A. Pople, and M. J. Frisch. “The Performance of the Becke-Lee-Yang-Parr (B-LYP) Density Functional Theory with Various Basis-Sets” Chem. Phys. Letters 197 (1992) 499; B. G. Johnson, P. M. W. Gill, and J. A. Pople. “The Performance of a Family of Density Functional Methods” J. Chem. Physics 98(1993) 5612.
- J. A. Pople, M. Head-Gordon, D. J. Fox, K. Raghavachari, and L. A. Curtiss. “Gaussian-1 Theory: A General Procedure for Prediction of Molecular-Energies” J. Chem. Physics 90 (1989) 5622.
- J. A. Pople, “Theoretical Models for Chemistry,” Proceedings of the Summer Research Conference on Theoretical Chemistry, Energy Structure and Reactivity, Ed. D. W. Smith, (John Wiley & Sons, New York, 1973). See also J. A. Pople. “2-Dimensional Chart of Quantum Chemistry,” J. Chem. Phys. 48 (1965) 229.
Links to Photos of John Pople
- Early photo (1950s)
- Pople as he looked in the late 1980s
- 1998 Nobel Prize presentation (with the King of Sweden)
- Sir John Pople c.2003
John Pople Chronology
|1925||Born October 31st, Burnham-on-Sea, Somerset, England to Keith and Mary Pople.|
|1943–1945||Entered Cambridge University on a Mathematics scholarship.|
|1945–1947||Wartime employment with Bristol Aeroplane.|
|1947–1950||Resumes studies at Cambridge University. Begins studying Quantum Chemistry among other scientific topics. Receives his Ph.D. in Mathematics in 1951.|
|1952||Marries Joy Bowers.|
|1952||Research Fellow, Trinity College, Cambridge.|
|1954–1958||Lecturer on Mathematics Faculty.|
|1958–1964||Head of the new Basics Physics Division at the National Physical Laboratory near London.|
|1961–1962||Spends sabbatical year at Carnegie Institute of Technology in Pittsburgh, PA.|
|1964–1993||Carnegie Professor of Chemical Physics at Carnegie Mellon University, Pittsburgh and later John Christian Warner Professor of Natural Sciences.|
|1993–2004||Board of Trustees Professor of Chemistry at Northwestern University.|
|1998||Winner, Nobel Prize in Chemistry (with Walter Kohn).|
|2003||Knight Commander of the Order of the British Empire (K.B.E.).|
|2004||Dies, March 15th.|
Last updated: 1 February 2023