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The General Atomic and Molecular Electronic Structure System (GAMESS): Novel Methods on Novel Architectures Zahariev, Federico; Xu, Peng; Westheimer, Bryce M.; Webb, Simon; Galvez Vallejo, Jorge; Tiwari, Ananta; Sundriyal, Vaibhav; Sosonkina, Masha; Shen, Jun; Schoendorff, George; Schlinsog, Megan; Sattasathuchana, Tosaporn; Ruedenberg, Klaus; Roskop, Luke B.; Rendell, Alistair P.; Poole, David; Piecuch, Piotr; Pham, Buu Q.; Mironov, Vladimir; Mato, Joani; Leonard, Sam; Leang, Sarom S.; Ivanic, Joe; Hayes, Jackson; Harville, Taylor; Gururangan, Karthik; Guidez, Emilie; Gerasimov, Igor S.; Friedl, Christian; Ferreras, Katherine N.; Elliott, George; Datta, Dipayan; Cruz, Daniel Del Angel; Carrington, Laura; Bertoni, Colleen; Barca, Giuseppe M. J.; Alkan, Melisa; Gordon, Mark S. Share Save
Toward an extreme-scale electronic structure system Vallejo, Jorge L. Galvez; Snowdon, Calum; Stocks, Ryan; Kazemian, Fazeleh; Yu, Fiona Chuo Yan; Seidl, Christopher; Seeger, Zoe; Alkan, Melisa; Poole, David; Westheimer, Bryce M.; Basha, Mehaboob; De La Pierre, Marco; Rendell, Alistair; Izgorodina, Ekaterina I.; Gordon, Mark S.; Barca, Giuseppe M. J. Share Save
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Porting fragmentation methods to GPUs using an OpenMP API: Offloading the resolution-of-the-identity second-order Moller-Plesset perturbation method Pham, Buu Q.; Carrington, Laura; Tiwari, Ananta; Leang, Sarom S.; Alkan, Melisa; Bertoni, Colleen; Datta, Dipayan; Sattasathuchana, Tosaporn; Xu, Peng; Gordon, Mark S. Share Save
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Heterotrimetallic Mixed-Valent Molecular Precursors Containing Periodic Table Neighbors: Assignment of Metal Positions and Oxidation States Han, Haixiang; Carozza, Jesse C.; Colliton, Audra P.; Zhang, Yuxuan; Wei, Zheng; Filatov, Alexander S.; Chen, Yu-Sheng; Alkan, Melisa; Rogachev, Andrey Yu; Dikarev, Evgeny, V Share Save
Three to tango requires a site-specific substitution: heterotrimetallic molecular precursors for high-voltage rechargeable batteries Han, Haixiang; Wei, Zheng; Filatov, Alexander S.; Carozza, Jesse C.; Alkan, Melisa; Rogachev, Andrey Yu.; Shevtsov, Andrey; Abakumov, Artem M.; Pak, Chongin; Shatruk, Michael; Chen, Yu-Sheng; Dikarev, Evgeny V. Share Save
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