未登录 Materials Learning Algorithms (MALA): Scalable machine learning for electronic structure calculations in large-scale atomistic simulations Materials Learning Algorithms (MALA): 可扩展机器学习方法,用于大规模原子模拟中的电子结构计算 Cangi, Attila; Fiedler, Lenz; Brzoza, Bartosz; Shah, Karan; Callow, Timothy J.; Kotik, Daniel; Schmerler, Steve; Barry, Matthew C.; Goff, James M.; Rohskopf, Andrew; Vogel, Dayton J.; Modine, Normand; Thompson, Aidan P.; Rajamanickam, Sivasankaran 分享 收藏
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Orthogonal luminescence lifetime encoding by intermetallic energy transfer in heterometallic rare-earth MOFs Deneff, Jacob I.; Rohwer, Lauren E. S.; Butler, Kimberly S.; Kaehr, Bryan; Vogel, Dayton J.; Luk, Ting S.; Reyes, Raphael A.; Cruz-Cabrera, Alvaro A.; Martin, James E.; Gallis, Dorina F. Sava 分享 收藏
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Kinetically Controlled Linker Binding in Rare Earth-2,5-Dihydroxyterepthalic Acid Metal-Organic Frameworks and Its Predicted Effects on Acid Gas Adsorption Henkelis, Susan E.; Vogel, Dayton J.; Metz, Peter C.; Valdez, Nichole R.; Rodriguez, Mark A.; Rademacher, David X.; Purdy, Stephen; Percival, Stephen J.; Rimsza, Jessica M.; Page, Katharine; Nenoff, Tina M. 分享 收藏
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Density of States Broadening in CH3NH3PbI3 Hybrid Perovskites Understood from ab Initio Molecular Dynamics Simulations Zhou, Liujiang; Neukirch, Amanda J.; Vogel, Dayton J.; Kilin, Dmitri S.; Pedesseau, Laurent; Carignano, Marcelo A.; Mohite, Aditya D.; Even, Jacky; Katan, Claudine; Tretiak, Sergei 分享 收藏
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