未登录 NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations NWChem: 大规模分子模拟的全面且可扩展的开源解决方案 Valiev, M.; Bylaska, E. J.; Govind, N.; Kowalski, K.; Straatsma, T. P.; Van Dam, H. J. J.; Wang, D.; Nieplocha, J.; Apra, E.; Windus, T. L.; de Jong, Wa. 分享 收藏
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A component architecture for high-performance scientific computing 用于高性能科学计算的组件体系结构 Allan, Benjamin A.; Armstrong, Robert; Bernholdt, David E.; Bertrand, Felipe; Chiu, Kenneth; Dahlgren, Tamara L.; Damevski, Kostadin; Elwasif, Wael R.; Epperly, Thomas G. W.; Govindaraju, Madhusudhan; Katz, Daniel S.; Kohl, James A.; Krishnan, Manoj; Kumfert, Gary; Larson, J. Walter; Lefantzi, Sophia; Lewis, Michael J.; Malony, Allen D.; McInnes, Lois C.; Nieplocha, Jarek; Norris, Boyana; Parker, Steven G.; Ray, Jaideep; Shende, Sameer; Windus, Theresa L.; Zhou, Shujia 分享 收藏
Component-based integration of chemistry and optimization software Kenny, JP; Benson, SJ; Alexeev, Y; Sarich, J; Janssen, CL; McInnes, LC; Krishnan, M; Nieplocha, J; Jurrus, E; Fahlstrom, C; Windus, TL 分享 收藏
High performance computational chemistry:: An overview of NWChem a distributed parallel application Kendall, RA; Aprà, E; Bernholdt, DE; Bylaska, EJ; Dupuis, M; Fann, GI; Harrison, RJ; Ju, JL; Nichols, JA; Nieplocha, J; Straatsma, TP; Windus, TL; Wong, AT 分享 收藏
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