modified on 15 April 2016 at 16:19 ••• 31,907 views

Developer Team

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(Contributors and Inactive Developers)
(Active Developers)
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| [http://sites.google.com/site/alvarovazquezmayagoitia/ A. Vazquez-Mayagoitia] ([http://www.anl.gov ANL])
| [http://sites.google.com/site/alvarovazquezmayagoitia/ A. Vazquez-Mayagoitia] ([http://www.anl.gov ANL])
| DFT functionals, properties
| DFT functionals, properties
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|-
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| Kiran Bhaskharan Nair (PNNL, NWChem Group)
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| Multireference Coupled Cluster (MRCC) Theory development
|-
|-
|}
|}

Revision as of 14:13, 7 February 2013

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
Kiran Bhaskharan Nair (PNNL, NWChem Group) Multireference Coupled Cluster (MRCC) Theory development

Contributors and Inactive Developers

K. Glaesemann L. D. Crosby D. Wang P. Nichols S. Bogatko S. Hirata M. T. Hackler P.-D. Fan 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 M. Dupuis