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Role of HPC in DFT Calculations of Classical Molecule Simul..:
, In:
2022 8th International Conference on Advanced Computing and Communication Systems (ICACCS)
,
Devasena, M.S. Geetha
;
Grace, R. Kingsy
- p. 1582-1585 , 2022
Link:
https://doi.org/10.1109/ICACCS54159.2022.9785156
RT T1 <cTitle>2022 8th International Conference on Advanced Computing and Communication Systems (ICACCS)</cTitle>: T1 <Title>Role of HPC in DFT Calculations of Classical Molecule Simulations</Title> UL https://suche.suub.uni-bremen.de/peid=ieee-9785156&Exemplar=1&LAN=DE A1 Devasena, M.S. Geetha A1 Grace, R. Kingsy YR 2022 SN 2575-7288 K1 Drugs K1 Quantum computing K1 Computational modeling K1 High performance computing K1 Discrete Fourier transforms K1 Dynamics K1 Graphics processing units K1 High Performance Computing K1 Density functional theor K1 computationally expensive K1 molecules SP 1582 OP 1585 LK http://dx.doi.org/https://doi.org/10.1109/ICACCS54159.2022.9785156 DO https://doi.org/10.1109/ICACCS54159.2022.9785156 SF ELIB - SuUB Bremen
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