modified on 15 April 2016 at 17:19 ••• 29,855 views

Developer Team

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(Core Development Team)
(NWChem Development Consortium)
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| [http://www.emsl.pnl.gov/emslweb/people/edoardo-apra E. Apra]
| [http://www.emsl.pnl.gov/emslweb/people/edoardo-apra E. Apra]
| DFT, Parallelization infrastruture
| DFT, Parallelization infrastruture
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|-
 
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| [http://crd.lbl.gov/about/staff/amsc/scientific-computing-group-scg/bert-de-jong/ W. A. de Jong]
 
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| Properties, relativistic effects, basis sets, parallel performance, integrals, HPC
 
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|-
 
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| [http://www.pnl.gov/science/staff/staff_info.asp?staff_num=7066 T. P. Straatsma]
 
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| Molecular dynamics
 
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| [http://www.csm.ornl.gov/ccsg/html/staff/harrison.html R. J. Harrison] (ORNL)
| [http://www.csm.ornl.gov/ccsg/html/staff/harrison.html R. J. Harrison] (ORNL)
| Multiresolution methods
| Multiresolution methods
 +
|-
 +
| [http://crd.lbl.gov/about/staff/amsc/scientific-computing-group-scg/bert-de-jong/ W. A. de Jong]
 +
| Properties, relativistic effects, basis sets, parallel performance, integrals, HPC
 +
|-
 +
| [https://www.olcf.ornl.gov/about-olcf/groups/ T. P. Straatsma]
 +
| Molecular dynamics
|-
|-
| [http://www.chem.iastate.edu/faculty/Theresa_Windus/ T. L. Windus] (Iowa State University and AMES)
| [http://www.chem.iastate.edu/faculty/Theresa_Windus/ T. L. Windus] (Iowa State University and AMES)

Revision as of 16:05, 21 April 2015

Contents

NWChem Development Consortium

Core Development Team

Name Current focus
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, Parallelization infrastruture

Active Developers

Name Current focus
R. J. Harrison (ORNL) Multiresolution methods
W. A. de Jong Properties, relativistic effects, basis sets, parallel performance, integrals, HPC
T. P. Straatsma Molecular dynamics
T. L. Windus (Iowa State University and AMES) Dynamic nucleation theory
J. R. Hammond (Intel) Coupled cluster methods, performance optimization and multithreading
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

Authors and Contributors

E. Apra, E. J. Bylaska, W. A. de Jong, N. Govind, K. Kowalski, T. P. Straatsma, M. Valiev, H. J. J. van Dam, D. Wang, T. L. Windus, J. Hammond, J. Autschbach, K. Bhaskaran-Nair, J. Brabec, K. Lopata, F. Aquino, S. Hirata, M. T. Hackler, J. Mullin, P. Nichols, R. Peverati, J. Pittner, Y. Zhao, P.-D. Fan, R. J. Harrison, M. Dupuis, D. Silverstein, D. M. A. Smith, J. Nieplocha, V. Tipparaju, M. Krishnan, B. E. Van Kuiken, A. Vazquez-Mayagoitia, L. Jensen, M. Swart, Q. Wu, T. Van Voorhis, A. A. Auer, M. Nooijen, L. D. Crosby, E. Brown, G. Cisneros, G. I. Fann, 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. 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, K. Glaesemann, G. Sandrone, M. Stave, H. Taylor, G. Thomas, J. H. van Lenthe, A. Wong, Z. Zhang.