Award Winners

1967

Wlodzimierz Kolos (University of Warsaw, Poland)

"for his work on small molecules studied by means of electronic computers"
1968

Raphael D. Levine (Hebrew University, Jerusalem, Israel)

"pour sa contribution a la theorie des reactions chimiques"
1969

Alexander Dalgarno (Harvard University, Massachusetts, USA)

"pour sa contribution a la theorie des forces intermoleculaires"
1970

Roald Hoffmann (Cornell University, New York, USA)

"pour sa methode de calcul des fonctions d'onde moleculaires et pour ses etudes theoriques des reactions chimiques"
1971

Ernest R. Davidson (University of Washington, USA)

"for his fundamental contribution to the theory and calculation of properties of small molecules"
1972

Joshua Jortner (Tel Aviv University, Israel)

"for his work on non-radiative transitions"
1973

K. Johnson (Massachusetts Institute of Technology, USA)

"pour avoir mis au point des methodes de perfectionnement pour le calcul de proprietes des grosses molecules et des solides"
1974

William H. Miller (University of California at Berkeley, USA)

"pour ses travaux sur la theories des collisions"
1975

Lionel Salem (University Paris-Sud, Orsay, France)

"pour ses travaux sur les processus photochimiques et sur les mecanismes de reactions chimiques"
1976

Jiri Cizek (University of Waterloo, Ontario, Canada)

"for the introduction of mathematical methods of quantum field theory into quantum chemistry"
1977

Sigrid Peyerimhoff (University of Bonn, Germany)

"for her outstanding contribution to the theoretical study of the geometry, reactivity and spectroscopic properties of molecules using configuration interaction"
1978

Keiji Morokuma (Institute of Molecular Science, Okazaki, Japan)

"for his outstanding contribution to the quantum-mechanical study of excited states, reaction paths and intermolecular interactions"
1980

O. Goscinski (Uppsala University, Sweden)

"for his fundamental theoretical work on intermolecular forces and on time-dependent phenomena using propagator methods"

Robert E. Wyatt (University of Austin, Texas, USA)

"his fundamental contribution to theoretical chemical dynamics"
1981

Barry Simon (Princeton University and Caltech, Pasadena, California, USA)

"for his fundamental contribution to the theory of the stability of many particle systems and for his application of the complex scaling method to the theory of the stability of many molecular scattering and resonance phenomena"
1982

Peter Pulay (University of Arkansas, USA)

"for the analytic gradient method"
1983

Jack Simons (Salt Lake City, Utah, USA)

"for his theoretical contribution to the understanding of the electronic structure and behaviour of atoms and molecules, particularly negative ions"
1984

Jean-Marie André (Facultes Universitaires Notre-Dame de la Paix, Namur, Belgium)

"for his important theoretical work for the understanding of the properties of polymers and their industrial applications"
1985

Per E. M. Siegbahn (University of Stockholm, Sweden)

"for his contributions to the development of methods for large-scale configuration interaction"
1986

William L. Jorgensen (Purdue University, USA)

"for his work on the structure of organic liquids and on molecular reaction in solution"
1987

Bogumil Jeziorski (University of Warsaw, Poland)

"for his outstanding contribution to the coupled cluster method and to the theory of intermolecular forces"
1988

Gregory S. Ezra (Cornell University, USA)

"for his incisive contribution to semi-classical quantization and to the theory of non-rigid molecules"
1989

David C. Clary (University of Cambridge, UK)

"for his contribution to the quantum theory of molecular collisions"
1991

Axel D. Becke (Queen's University, Kingston, Canada)

"for unique advances in numerical methods in density functional theory as applied to molecules, and for important developments in the understanding of the exchange-correlation functional that enters density functional theory"
1993

Emily A. Carter (University of California at Los Angeles, USA)

"for development of multiple time scale Hartree-Fock molecular dynamics for surface chemical reactions"
1994

Bernd A. Hess (University of Bonn, Germany)

"for development of the spin-free no-pair hamiltonian with external field projectors and his pioneering work in its with external field projectors and his pioneering work in its application, opening the way for relativistic ab initio calculations including electron correlation for molecules in ground and excited states"
1995

Nancy Makri (University of Illinois, USA)

"for her development of rigorous quantum mechanical path integral methods and subsequent calculations for the spin-boson problem, the paradigm for describing chemical reactions in condensed phases"
1997

Jürgen Gauss (University of Mainz, Germany)

"for formulating and implementing very general GIAO based MBPT and Coupled-cluster correlation methods for the highly accurate prediction of NMR chemical shifts in molecules"

Weitao Yang (Duke University, North Carolina, USA)

"for his numerous contributions to the density functional theory of molecular electronic structure, in particular the 'divide and conquer' approach he originated for dealing with very large molecules"
1998

Martin Head-Gordon (University of California, Berkeley, USA)

"for his contributions to linear scaling in quantum chemistry"
1999

Wim Klopper (Utrecht University, The Netherlands)

"for his contributions to explicitly correlated methodology and applications in quantum chemistry"
2000

David Manolopoulos (Oxford University, UK)

"for his contributions to the Quantum Theory of Molecular Collisions and Chemical Reactions"
2001

Pavel Jungwirth (Heyrovsky Institute of Physical Chemistry, Czech Republic)

"for his developments in quantum molecular dynamics of large polyatomic systems and applications to photochemical processes, in particular clusters"
2002

Gerhard Stock (University of Frankfurt, Germany)

"for his contributions to the theory of ultrafast molecular photodynamics and its time-resolved spectroscopy, as well as to a variety of mixed quantum-classical methods for molecular dynamics"
2003

Marcel Nooijen (University of Waterloo, Canada)

"for his contributions to the many-body treatment of the electronic structure of molecules, particularly his use of double similarity transformations to generalize coupled-cluster methods for excited states"
2004

Laura Gaglardi (University of Palermo, Italy)

"for her innovative contributions to prediction and understanding of new inorganic molecules using quantum chemical methods"
2005

Sharon Hammes-Schiffer (Pennsylvania State University, USA)

"for her development of innovative theories of electron and proton dynamics with insightful applications to biological processes"
2006

Wenjian Liu (Peking University, PR China)

"for his contributions to relativistic quantum chemistry, especially the development of the Beijing Density Functional (BDF) code, and his formulation of an exact quasirelativistic decoupling of the Dirac equation"
2007

Frederick R. Manby (University of Bristol, UK)

"for expanding the applicability range and improving the accuracy of correlated molecular electronic-structure methods by a combination of local and density-fitting techniques"
2008

So Hirata (University of Florida, USA)

"for theory and algorithm developments in electron correlated methods for molecules and extended systems"
2009

Mihály Kállay (The Technical University of Budapest, Hungary)

"for his innovative and pioneering contribution to algorithmic development for generating and implementing highly accurate many-body formulations"
2010

Garnet K.-L. Chan (Cornell University, USA)

"For his outstanding contribution to the density matrix renormalization group theory of molecular systems"
2011

Andreas Köhn (Johannes Gutenberg-Universität Mainz, Germany)

"For his contributions to explicitly correlated and multi-reference coupled cluster theories"