Open AccessExtending molecular simulation time scales: Parallel in time integrations for high-level quantum chemistry and complex force representations
Author(s) -
Eric J. Bylaska,
Jonathan Weare,
John H. Weare
Publication year - 2013
Publication title -
the journal of chemical physics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.071
H-Index - 357
eISSN - 1089-7690
pISSN - 0021-9606
DOI - 10.1063/1.4818328
Subject(s) - verlet integration , molecular dynamics , root (linguistics) , convergence (economics) , speedup , algorithm , trajectory , computer science , mathematics , chemistry , parallel computing , computational chemistry , physics , quantum mechanics , philosophy , linguistics , economic growth , 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