modified on 15 April 2016 at 16:19 ••• 32,073 views

Developer Team

From NWChem

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(Active Developers)
(Active Developers)
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| [http://iqc.udg.es/~marcel/eng/index.html M. Swart] (Universitat de Girona, Spain)
| [http://iqc.udg.es/~marcel/eng/index.html M. Swart] (Universitat de Girona, Spain)
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| Improved DFT functionals
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| SSB-D functionals
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| [http://www.bnl.gov/cfn/people/?id=23957 Q. Wu] (BNL)
| [http://www.bnl.gov/cfn/people/?id=23957 Q. Wu] (BNL)

Revision as of 23:38, 2 February 2012

Contents

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) SSB-D 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