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收藏Scalable molecular dynamics on CPU and GPU architectures with NAMD使用NAMD在CPU和GPU架构上实现可扩展的分子动力学
Phillips, James C.; Hardy, David J.; Maia, Julio D. C.; Stone, John E.; Ribeiro, Joao, V; Bernardi, Rafael C.; Buch, Ronak; Fiorin, Giacomo; Henin, Jerome; Jiang, Wei; McGreevy, Ryan; Melo, Marcelo C. R.; Radak, Brian K.; Skeel, Robert D.; Singharoy, Abhishek; Wang, Yi; Roux, Benoit; Aksimentiev, Aleksei; Luthey-Schulten, Zaida; Kale, Laxmikant, V; Schulten, Klaus; Chipot, Christophe; Tajkhorshid, Emad
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收藏Scalable GW software for quasiparticle properties using OpenAtom使用OpenAtom的准粒子属性的可扩展GW软件
Kim, Minjung; Mandal, Subhasish; Mikida, Eric; Chandrasekar, Kavitha; Bohm, Eric; Jain, Nikhil; Li, Qi; Kanakagiri, Raghavendra; Martyna, Glenn J.; Kale, Laxmikant; Ismail-Beigi, Sohrab
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收藏Argobots: A Lightweight Low-Level Threading and Tasking Framework
Seo, Sangmin; Amer, Abdelhalim; Balaji, Pavan; Bordage, Cyril; Bosilca, George; Brooks, Alex; Carns, Philip; Castello, Adrian; Genet, Damien; Herault, Thomas; Iwasaki, Shintaro; Jindal, Prateek; Kale, Laxmikant V.; Krishnamoorthy, Sriram; Lifflander, Jonathan; Lu, Huiwei; Meneses, Esteban; Snir, Marc; Sun, Yanhua; Taura, Kenjiro; Beckman, Pete
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收藏Scalable molecular dynamics with NAMD使用NAMD的可扩展分子动力学
Phillips, JC; Braun, R; Wang, W; Gumbart, J; Tajkhorshid, E; Villa, E; Chipot, C; Skeel, RD; Kalé, L; Schulten, K
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收藏NAMD2:: Greater scalability for parallel molecular dynamics
Kalé, L; Skeel, R; Bhandarkar, M; Brunner, R; Gursoy, A; Krawetz, N; Phillips, J; Shinozaki, A; Varadarajan, K; Schulten, K
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