WATOC Fellows
N. L. Allinger
E. J. Baerends
R. J. Bartlett
A. D. Becke
E. Clementi
E. R. Davidson
G. Frenking
P. M. Gill
N. C. Handy
R. Hoffmann
K. N. Houk
W. Kutzelnigg
J. Michl
K. Morokuma
M. Parrinello
P. Pulay
L. Radom
S. Shaik
H. F. Schaefer
P. v. R. Schleyer
W. Thiel
D. G. Truhlar
T. Ziegler

The World Association of
Theoretical and Computational Chemists

WATOC Officers

WATOC Scientific Board
Y. Apeloig
R. J. Boyd
P. Carsky
O. Eisenstein
K. Fan
A. Ford
M. Gordon
T. Helgaker
K. Hirao
B. Jeziorski
K. Kim
E. Kraka
S. Nagase
M. Nascimento
A. Toro-Labbe
M. Urban
Y. -D. Wu
M. Yañez
Vice President:
Communications Officer:
Foundation Ambassador:
Public Relations Officer:
Education Officer:
Past presidents:
Leo Radom
Walter Thiel
Gernot Frenking
Henry Rzepa
Mark Gordon
Russell Boyd
Elfi Kraka
I. G. Csizmadia
P. v. R. Schleyer
H. F. Schaefer

Next WATOC Congress
WATOC 2011 will be held in
Santiago de Compostela, Spain.
July 17-22, 2011
Organizer: Manuel Yañez
Future WATOC Congress
WATOC 2014 will be held in
Santiago, Chile

Year Schroedinger Medal "for the outstanding computational chemist in the world who has not previously been awarded this honor" Dirac Medal "for the outstanding computational chemist in the world under the age of 40"
2011 Peter Gill: For his outstanding contributions to intracules, Coulomb operator resolutions, perturbative techniques, and two-electron systems. Leticia Gonzalez: For her outstanding contributions to the combination of accurate quantum chemical methods for electronic excited states with quantum reaction dynamics to control chemical reactions.
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. Daniel Crawford: For a range of outstanding advances in theoretical chemistry, including reduced-scaling coupled-cluster methods for computing optical rotation and CD spectra of large chiral molecules.
2009 Gernot Frenking: For his outstanding work on computational organometallic chemistry and his fundamental contributions to the understanding of the chemical bond Jeremy Harvey: For his outstanding work on the chemical reactivity of transition metal compounds, the understanding of organometallic catalysis, and the use of density functional theory for transition metal elements.
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. Kenneth Ruud: For his outstanding work on the development of ab initio methods for the calculation of molecular properties involving external sources of magnetic or electric fields
2007 Sason Shaik: For his outstanding contributions to the understanding of the chemical bond, reaction mechanisms in organic chemistry, and enzymatic reactivity. Anna Krylov: For her outstanding research on new methods in electronic structure theory for the description of bond-breaking, in particular the spin-flip method.
2006 Don Truhlar: For his outstanding contributions to the theory and computation of chemical reaction dynamics in ground and excited states. Lucas Visscher: For his outstanding achievements in relativistic quantum chemistry.
2005 Michele Parrinello: For the unification of molecular dynamics with density functional theory. Ursula Roethlisberger: For her research on the Car-Parrinello simulation of chemical and biochemical systems, typified by studies on chiral Pd(II) chlorosilyl complexes
2004 Tom Ziegler: For outstanding applications of density functional theory, especially to organometallic chemistry Jan Martin: (a) For the development and application of accurate methods for the prediction of thermochemical quantities. (b) For important collaborations with his experimental biochemistry colleagues.
2003 Peter Pulay: For his development of analytic gradient methods and methods for the evaluation of NMR parameters. Peter Schreiner: For outstanding applications of quantum chemistry to physical organic chemistry.
2002 Walter Thiel: For the development of semi-empirical methods and the application to large chemical systems. Jerzy Cioslowski: For invaluable contributions to the study of fullerenes and to the understanding of the chemical bond.
2001 Ernest Davidson: For a wealth of pioneering contributions to molecular and quantum mechanics. Martin Kaupp: For his application of electronic structure theory to NMR, especially involving heavier elements.
2000 Axel Becke: For the development of generalised gradient methods in density functional theory. Jiali Gao: For the development of methods incorporating both quantum mechanics and molecular mechanics.
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" Peter Gill: For his pioneering contributions to the efficient calculation of coulomb, exchange and correlation energies in density-functional- and wave-function based calculations
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" Timothy J. Lee: For his significant contributions in the development of ab initio quantum chemistry methods and their application to important problems in atmospheric chemistry and theoretical spectroscopy
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 Almlof
1992 Josef Michl
1991 Keiji Morokuma
1990 Fritz Schaefer

Previous WATOC Congresses

  1. WATOC 2008 Australia, Sydney, September 14-19, 2008.
  2. WATOC 2005 in Capetown, SA. 16-21 January, 2005.
  3. WATOC-2002 in Lugano, Switzerland, 6-9 August, 2002.
  4. WATOC-99 in London, UK.
  5. WATOC-96 In Jerusalem, Israel
  6. WATOC-93 Photographs in Toyohashi, Japan.
  7. WATOC-90 in Toronto, Canada.
  8. WATOC-87 in Budapest, Hungary.


  1. Joining WATOC
  2. WATOC Life Members
  3. Bank details for membership transfers: Volksbank Mittelhessen (BLZ 51390000), Account No. 17444212. IBAN: DE46513900000017444212 BIC: VBMHDE5F

This page was initiated on Jan 1, 1994 as the first Web service associated with any chemically oriented society, is hosted by the Department of Chemistry, Imperial College London, and was last updated on May 16,2011. To include information here, contact Henry Rzepa.
© WATOC 1994-2010.