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Developer Team

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NWChem developer consortium

NWChem Core Developer Team

Name Current focus
W. A. de Jong Properties, relativistic effects, basis sets
E. J. Bylaska Plane wave development
N. Govind DFT, (LR/RT)-TDDFT, Excited-state methods
K. Kowalski High accuracy methods
M. Valiev QM/MM methodologies
H. J. J. van Dam DFT, Fault tolerance
E. Apra DFT, Cray optimization
T. P. Straatsma Molecular dynamics

Active Developers

Name Current focus
R. J. Harrison (ORNL) Multiresolution methods
T. L. Windus (Iowa State University and AMES) Dynamic nucleation theory
J. R. Hammond (ANL) High accuracy response, IBM Blue Gene performance
J. Autschbach (SUNY Buffalo) Response properties, relativistic effects
L. Jensen (Penn State) DFT functionals, properties
M. Swart (Universitat de Girona, Spain) Improved DFT functionals
Q. Wu (BNL) Constrained DFT
T. Van Voorhis (MIT) Constrained DFT
Y. Zhao (Hewlett-Packard) Minnesota (Truhlar) functionals
R. Peverati (University of Minnesota -Truhlar Group) Minnesota (Truhlar) functionals
K. Lopata (PNNL, NWChem Group) RT-TDDFT Development
A. Vazquez-Mayagoitia (ANL) DFT functionals, properties

Contributors and Inactive Developers

K. Glaesemann L. D. Crosby D. Wang P. Nichols S. Hirata M. T. Hackler P.-D. Fan M. Dupuis D. M. A. Smith A. Wong
V. Tipparaju M. Krishnan A. A. Auer M. Nooijen E. Brown G. Cisneros G. I. Fann Z. Zhang H. Fruchtl J. Garza
K. Hirao R. Kendall J. A. Nichols K. Tsemekhman K. Wolinski J. Anchell D. Bernholdt P. Borowski T. Clark D. Clerc
H. Dachsel M. Deegan K. G. Dyall D. Elwood E. Glendening M. Gutowski A. Hess J. Jaffe B. Johnson J. Ju
R. Kobayashi R. Kutteh Z. Lin R. Littlefield X. Long B. Meng T. Nakajima S. Niu L. Pollack M. Rosing
G. Sandrone M. Stave H. Taylor G. Thomas J. H. van Lenthe J. Nieplocha