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
E. Aprà	DFT, Parallelization infrastructure
D. Mejía-Rodríguez	DFT, GW

Active Developers

Name	Current focus
R. J. Harrison (Stony Brook)	Multiresolution methods
W. A. de Jong (LBNL)	Properties, relativistic effects, basis sets, parallel performance, integrals, HPC
H. J. J. van Dam (BNL)	DFT, Fault tolerance
T. P. Straatsma (ORNL)	Molecular dynamics
T. L. Windus (Iowa State U. and AMES)	Dynamic nucleation theory
J. R. Hammond (Nvidia)	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 (Wuhan)	Minnesota (Truhlar) functionals
R. Peverati (FIT)	Minnesota (Truhlar) functionals
K. Lopata (LSU)	RT-TDDFT development
A. Vazquez-Mayagoitia (ANL)	DFT functionals, properties
Kiran Bhaskharan Nair (WUSTL)	Multireference Coupled Cluster (MRCC) Theory development
Jiri Brabec (Heyrovsky Institute)	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, S. A. Fischer, S. Krishnamoorthy, W. Ma, M. Klemm, O. Villa, Y. Chen, V. Anisimov, F. Aquino, S. Hirata, M. T. Hackler, T. Risthaus, M. Malagoli, A. Marenich, A. Otero-de-la-Roza, J. Mullin, P. Nichols, R. Peverati, J. Pittner, Y. Zhao, P.-D. Fan, A. Fonari, M. Williamson, R. J. Harrison, J. R. Rehr, 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. A. Kendall, J. A. Nichols, K. Tsemekhman, K. Wolinski, J. Anchell, D. E. Bernholdt, P. Borowski, T. Clark, D. Clerc, H. Dachsel, M. J. O. Deegan, K. Dyall, D. Elwood, E. Glendening, M. Gutowski, A. C. Hess, J. Jaffe, B. G. 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. T. Wong, Z. Zhang.