Open AccessAcceleration of Environmental Electrostatic Potential Using Cholesky Decomposition with Adaptive Metric (CDAM) for Fragment Molecular Orbital (FMO) Method
Author(s) -
Yoshio Okiyama,
Tatsuya Nakano,
Chiduru Watanabe,
Kaori Fukuzawa,
Yuto Komeiji,
Katsunori Segawa,
Yuji Mochizuki
Publication year - 2020
Publication title -
bulletin of the chemical society of japan
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.145
H-Index - 99
eISSN - 1348-0634
pISSN - 0009-2673
DOI - 10.1246/bcsj.20200227
Subject(s) - cholesky decomposition , chemistry , fragment molecular orbital , metric (unit) , ab initio , fragment (logic) , decomposition , computational chemistry , dimer , molecular orbital , algorithm , quantum mechanics , molecule , physics , computer science , eigenvalues and eigenvectors , operations management , organic chemistry , economics
Accelerating Research
Robert Robinson Avenue,
Oxford Science Park, Oxford
OX4 4GP, United Kingdom
Address
John Eccles HouseRobert Robinson Avenue,
Oxford Science Park, Oxford
OX4 4GP, United Kingdom