Not logged in Acceleration without Disruption: DFT Software as a Service Ju, Fusong; Wei, Xinran; Huang, Lin; Jenkins, Andrew J.; Xia, Leo; Zhang, Jia; Zhu, Jianwei; Yang, Han; Shao, Bin; Dai, Peggy; Williams-Young, David B.; Mayya, Ashwin; Hooshmand, Zahra; Efimovskaya, Alexandra; Baker, Nathan A.; Troyer, Matthias; Liu, Hongbin Share Save
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Electronic structure simulations in the cloud computing environment Bylaska, Eric J.; Panyala, Ajay; Bauman, Nicholas P.; Peng, Bo; Pathak, Himadri; Mejia-Rodriguez, Daniel; Govind, Niranjan; Williams-Young, David B.; Apra, Edoardo; Bagusetty, Abhishek; Mutlu, Erdal; Jackson, Koblar A.; Baruah, Tunna; Yamamoto, Yoh; Pederson, Mark R.; Withanage, Kushantha P. K.; Pedroza-Montero, Jesus N.; Bilbrey, Jenna A.; Choudhury, Sutanay; Firoz, Jesun; Herman, Kristina M.; Xantheas, Sotiris S.; Rigor, Paul; Vila, Fernando D.; Rehr, John J.; Fung, Mimi; Grofe, Adam; Johnston, Conrad; Baker, Nathan; Kaneko, Ken; Liu, Hongbin; Kowalski, Karol Share Save
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JCTC Early Career Board Selects Burton, Hugh G. A.; Dong, Sijia S.; Ghosh, Soumen; Gu, Bing; Jackson, Nicholas E.; Keefer, Daniel; Lu, Yangyi; Monroe, Jacob I.; Peng, Bo; Pieri, Elisa; Spackman, Peter R.; Vacher, Morgane; Vuckovic, Stefan; Williams-Young, David; Yang, Zhongyue J.; Yue, Shuwen; Zerze, Gul H.; Zhu, Tianyu Share Save
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A Perspective on Sustainable Computational Chemistry Software Development and Integration Di Felice, Rosa; Mayes, Maricris L.; Richard, Ryan M.; Williams-Young, David B.; Chan, Garnet Kin-Lic; de Jong, Wibe A.; Govind, Niranjan; Head-Gordon, Martin; Hermes, Matthew R.; Kowalski, Karol; Li, Xiaosong; Lischka, Hans; Mueller, Karl T.; Mutlu, Erdal; Niklasson, Anders M. N.; Pederson, Mark R.; Peng, Bo; Shepard, Ron; Valeev, Edward F.; van Schilfgaarde, Mark; Vlaisavljevich, Bess; Windus, Theresa L.; Xantheas, Sotiris S.; Zhang, Xing; Zimmerman, Paul M. Share Save
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Distributed memory, GPU accelerated Fock construction for hybrid, Gaussian basis density functional theory Williams-Young, David B.; Asadchev, Andrey; Popovici, Doru Thom; Clark, David; Waldrop, Jonathan; Windus, Theresa L.; Valeev, Edward F.; de Jong, Wibe A. Share Save
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PluginPlay: Enabling exascale scientific software one module at a time Richard, Ryan M. M.; Keipert, Kristopher; Waldrop, Jonathan; Keceli, Murat; Williams-Young, David; Bair, Raymond; Boschen, Jeffery; Crandall, Zachery; Gasperich, Kevin; Mahmud, Quazi Ishtiaque; Panyala, Ajay; Valeev, Edward; van Dam, Hubertus; de Jong, Wibe A. A.; Windus, Theresa L. L. Share Save
The Effect of Geometry, Spin, and Orbital Optimization in Achieving Accurate, Correlated Results for Iron-Sulfur Cubanes Mejuto-Zaera, Carlos; Tzeli, Demeter; Williams-Young, David; Tubman, Norm M.; Matousek, Mikulas; Brabec, Jiri; Veis, Libor; Xantheas, Sotiris S.; de Jong, Wibe A. Share Save
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The Chronus Quantum software package Williams-Young, David B.; Petrone, Alessio; Sun, Shichao; Stetina, Torin F.; Lestrange, Patrick; Hoyer, Chad E.; Nascimento, Daniel R.; Koulias, Lauren; Wildman, Andrew; Kasper, Joseph; Goings, Joshua J.; Ding, Feizhi; DePrince, A. Eugene, III; Valeev, Edward F.; Li, Xiaosong Share Save
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