The Schrödinger Medal is an annual award presented by the World Association of Theoretical and Computational Chemists for "one outstanding theoretical and computational chemist". Prior to 1991, winners were voted on by a committee to multiple chemists.^[1]

Year	Name		Citation
1987		Enrico Clementi	No reason cited.
1987		Raymond Daudel	No reason cited.
1987		Kenichi Fukui	No reason cited.
1987		William Lipscomb	No reason cited.
1987		Per-Olov Löwdin	No reason cited.
1987		Angelo Mangini	No reason cited.
1987		Yuri Ovchinnikov	No reason cited.
1987		John Pople	No reason cited.
1987		Bernard Pullman	No reason cited.
1987		Paul v. Ragué Schleyer	No reason cited.
1990		Michael J. S. Dewar	No reason cited.
1990		Roald Hoffmann	No reason cited.
1990		Camille Sandorfy	No reason cited.
1990		Henry F. Schaefer, III	No reason cited.
1991		Keiji Morokuma	"For his pioneering contributions to the development and application of theoretical and computational chemistry."
1992		Josef Michl	"For his novel contributions to the application of theoretical and computational chemistry, including organic photochemistry."
1993		Jan Almlöf	"For his insightful contributions to the development of efficient methods for quantum chemistry calculations, including direct methods."
1994		Leo Radom	"For his pioneering contributions to the application of computational chemistry."
1995		Werner Kutzelnigg	"For the development of theoretical methods in the fields of electron correlation, NMR computation, and relativistic quantum chemistry."
1996		Norman L. Allinger	"For his pioneering contributions to the development and application of molecular mechanics."
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"
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"
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"
2000		Axel Becke	"For the development of generalised gradient methods in density functional theory"
2001		Ernest R. Davidson	"For a wealth of pioneering contributions to molecular and quantum mechanics"
2002		Walter Thiel	"For the development of semi-empirical methods and the application to large chemical systems"
2003		Peter Pulay	"For his development of analytic gradient methods and methods for the evaluation of NMR parameters"
2004		Tom Ziegler [de]	"For outstanding applications of density functional theory, especially to organometallic chemistry"
2005		Michele Parrinello	"For the unification of molecular dynamics with density functional theory"
2006		Donald Truhlar	"For his outstanding contributions to the theory and computation of chemical reaction dynamics in ground and excited states"
2007		Sason Shaik	"For his outstanding contributions to the understanding of the chemical bond, reaction mechanisms in organic chemistry, and enzymatic reactivity"
2008		Rodney J. Bartlett	"For his outstanding work on the systematic development of correlated wave function methods, especially many-body perturbation theory and coupled cluster theory"
2009		Gernot Frenking	"For his outstanding work on computational organometallic chemistry and his fundamental contributions to the understanding of the chemical bond"
2010		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"
2011		Peter Gill	"For his outstanding contributions to intracules, Coulomb operator resolutions, perturbative techniques, and two-electron systems"
2012		Pekka Pyykkö	"For his pioneering contributions to relativistic quantum chemistry"
2013		Stefan Grimme	"For his outstanding work on ab initio and density functional methods for large molecules"
2014		Mark Gordon	"For his contributions to the development and implementation of ab initio electronic structure methods and their application to complex systems"
2015		Helmut Schwarz	"For the successful combination of seminal experimental and computational research on mass spectrometry and catalysis"
2016		Hiroshi Nakatsuji	"For the discovery and development of general methods of solving the Schrödinger equation of atoms and molecules"
2017		Pavel Hobza[2]	"For his outstanding work on noncovalent interactions"
2018		Klaus Ruedenberg	"For advancing ab initio quantum chemistry through seminal innovations, pioneering the deduction of bonding concepts from rigorous wave mechanical analyses and, notably, identifying the fundamental physical origin of covalent bonding"
2019		Joachim Sauer	"For his outstanding contributions to the quantum chemistry of solid materials and their successful application to heterogeneous catalysis"
2020		Martin Head-Gordon	"For his contributions to density functional theory, wave function methods, and energy decomposition analysis."
2021		Yitzhak Apeloig[3]	"For his pioneering combined computational-experimental seminal contributions to silicon chemistry and mechanisms in organic chemistry"
2022		Frank Neese[4]	"For his pioneering development of new quantum chemical methods for theoretical spectroscopy and local electron correlation, and their applications to real-life chemical problems"

• Erwin Schrödinger Prize

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