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Developer Team

From NWChem

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(Core Development Team)
(Active Developers)
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| Dynamic nucleation theory
| Dynamic nucleation theory
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| [http://www.alcf.anl.gov/staff-directory/jeff-hammond J. R. Hammond] ([http://www.anl.gov ANL])
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| [http://jeffhammond.github.io/ J. R. Hammond] ([http://pcl.intel-research.net/ Intel])
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| High accuracy response, IBM Blue Gene performance
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| Coupled cluster methods, performance optimization and multithreading
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| [http://www.nsm.buffalo.edu/~jochena/ J. Autschbach] (SUNY Buffalo)
| [http://www.nsm.buffalo.edu/~jochena/ J. Autschbach] (SUNY Buffalo)

Revision as of 12:49, 10 December 2014

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, Cray optimization
W. A. de Jong Properties, relativistic effects, basis sets, parallel performance, integrals, HPC
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 (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.