Developer Team
From NWChem
(→Core Development Team) |
(→Active Developers) |
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| Dynamic nucleation theory | | Dynamic nucleation theory | ||
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| - | | [http:// | + | | [http://jeffhammond.github.io/ J. R. Hammond] ([http://pcl.intel-research.net/ Intel]) |
| - | | | + | | 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.