Dirac medal

The WATOC Schrödinger medal is awarded each year to one outstanding theoretical and computational chemist.

The medalist is selected by the Board through an electronic ballot. WATOC members can suggest candidates by email to the President.

Medal winners


Hiroshi Nakatsuji

For the discovery and development of general methods of solving the Schrödinger equation of atoms and molecules.


Helmut Schwarz

For the successful combination of seminal experimental and computational research on mass spectrometry and catalysis.


Mark Gordon

For his contributions to the development and implementation of ab initio electronic structure methods and their application to complex systems.


Stefan Grimme

For his outstanding work on ab initio and density functional methods for large molecules.


Pekka Pyykkö

For his pioneering contributions to relativistic quantum chemistry.


Peter Gill

For his outstanding contributions to intracules, Coulomb operator resolutions, perturbative techniques, and two-electron systems.


Evert Jan Baerends

For his pioneering contributions to the development of computational density functional methods and his fundamental contributions to density functional theory and density matrix theory.
2009 Gernot Frenking For his outstanding work on computational organometallic chemistry and his fundamental contributions to the understanding of the chemical bond.
2008 Rod Bartlett For his outstanding work on the systematic development of correlated wave function methods, especially many-body perturbation theory and coupled cluster theory.
2007 Sason Shaik For his outstanding contributions to the understanding of the chemical bond, reaction mechanisms in organic chemistry, and enzymatic reactivity.
2006 Don Truhlar For his outstanding contributions to the theory and computation of chemical reaction dynamics in ground and excited states.
2005 Michele Parrinello For the unification of molecular dynamics with density functional theory.
2004 Tom Ziegler For outstanding applications of density functional theory, especially to organometallic chemistry.
2003 Peter Pulay For his development of analytic gradient methods and methods for the evaluation of NMR parameters.
2002 Walter Thiel For the development of semi-empirical methods and the application to large chemical systems.
2001 Ernest Davidson For a wealth of pioneering contributions to molecular and quantum mechanics.
2000 Axel Becke For the development of generalised gradient methods in density functional theory.
1999 Björn O. Roos For the development of important new theoretical methods, including the CASPT2 method, and for outstanding chemical applications to the excited electronic states of molecular systems.
1998 Kendall N. Houk For achievements in the development of theoretical concepts and applications of computational methods to the understanding of the origins of organic reactivity and stereoselectivity.
1997 Nicholas C. Handy As the leader of the contemporary renaissance in British theoretical chemistry vis his outstanding contributions to the methods of quantum chemistry and density functional theory.
1996 Norman L. Allinger  
1995 Werner Kutzelnigg  
1994 Leo Radom  
1993 Jan Almlöf  
1992 Josef Michl  
1991 Keiji Morokuma  
1990 Fritz Schaefer  
Last modified 16 December 2015