WATOC Fellows

The World Association of Theoretical and Computational Chemists WATOC Officers 
WATOC Scientific Board




Next WATOC Congress  

WATOC 2011 will be held in
Santiago de Compostela, Spain. July 1722, 2011 Organizer: Manuel Yañez 

Future WATOC Congress  
WATOC 2014 will be held in
Santiago, Chile 
WATOC AWARDS  

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 twoelectron 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 reducedscaling coupledcluster 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 manybody 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 bondbreaking, in particular the spinflip 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 CarParrinello 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 semiempirical 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 densityfunctional and wavefunction 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 