Zobrazeno 1 - 6
of 6
pro vyhledávání: '"Bryce Westheimer"'
Autor:
Mark S. Gordon, Bryce Westheimer
Publikováno v:
The Journal of chemical physics. 155(15)
An alternative formulation of the non-orthogonal molecular orbital model of electronic structure theory is developed based on the expansion of the inverse molecular orbital overlap matrix. From this model, a hierarchy of ab initio fragment-based quan
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2739bc4a8572b52cfa3c81e550342477
https://pubmed.ncbi.nlm.nih.gov/34686043
https://pubmed.ncbi.nlm.nih.gov/34686043
Autor:
Giuseppe M. J. Barca, David Poole, Jorge L. Galvez Vallejo, Sarom S. Leang, Bryce Westheimer, Mark S. Gordon, Alistair P. Rendell
Publikováno v:
The journal of physical chemistry. A. 124(23)
Electronic structure theory (especially quantum chemistry) has thrived and has become increasingly relevant to a broad spectrum of scientific endeavors as the sophistication of both computer architectures and software engineering has advanced. This a
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d80b1446d63d06ad190b13e51c31bddf
https://pubmed.ncbi.nlm.nih.gov/32379450
https://pubmed.ncbi.nlm.nih.gov/32379450
Publikováno v:
Journal of Computer and Communications. :252-266
Energy efficiency and energy-proportional computing have become a central focus in modern supercomputers. These supercomputers should provide high throughput per unit of power to be sustainable in terms of operating cost and failure rates. In this pa
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::da46b46e62eebfb6b46bf6dfd4e628b8
https://doi.org/10.4236/jcc.2019.77021
https://doi.org/10.4236/jcc.2019.77021
Autor:
Tosaporn Sattasathuchana, Laura Carrington, Jun Shen, Emilie B. Guidez, Lyudmila V. Slipchenko, Vaibhav Sundriyal, Giuseppe M. J. Barca, Joe Ivanic, Federico Zahariev, Buu Q. Pham, Hui Li, David Poole, Klaus Ruedenberg, J. Emiliano Deustua, Anastasia O. Gunina, Bryce Westheimer, Hiroya Nakata, Luke Roskop, Joani Mato, Spencer R. Pruitt, Wei Li, Colleen Bertoni, Sarom S. Leang, Vladimir Mironov, Jorge L. Galvez Vallejo, Ilias Magoulas, Michael W. Schmidt, Dipayan Datta, Jeffrey R. Gour, Masha Sosonkina, Stephan Irle, Dmitri G. Fedorov, Peng Xu, Marta Włoch, Karol Kowalski, Taylor Harville, Piotr Piecuch, Alistair P. Rendell, Jesse J. Lutz, Mark S. Gordon, Nuwan De Silva, Ananta Tiwari
Publikováno v:
The Journal of chemical physics. 152(15)
A discussion of many of the recently implemented features of GAMESS (General Atomic and Molecular Electronic Structure System) and LibCChem (the C++ CPU/GPU library associated with GAMESS) is presented. These features include fragmentation methods su
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::69c182b06f33eaa5a102c7eb4315deea
https://pubmed.ncbi.nlm.nih.gov/32321259
https://pubmed.ncbi.nlm.nih.gov/32321259
Publikováno v:
Journal of Computer and Communications. :184-201
Energy-proportional computing is one of the foremost constraints in the design of next generation exascale systems. These systems must have a very high FLOP-per-watt ratio to be sustainable, which requires tremendous improvements in power efficiency
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::0ddadd9c4bb598e0f58b4d25953aa870
https://doi.org/10.4236/jcc.2018.612018
https://doi.org/10.4236/jcc.2018.612018
Publikováno v:
SpringSim
Dual inline memory modules (DIMMs) built with double data rate of the 4th generation (DDR4) synchronous dynamic random access memory (SDRAM) are widely used in current memory components in the high performance computing (HPC) systems. Since modern pa
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::afa28492080dfd660855a9fcc2ec4c6e
https://doi.org/10.23919/springsim.2019.8732866
https://doi.org/10.23919/springsim.2019.8732866