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Molecular Physics

Volumn 111, Issue 22-23, 2013, Pages 3579-3594

Stochastic, resonance-free multiple time-step algorithm for molecular dynamics with very large time steps

(3) Leimkuhler, Ben a Margul, Daniel T b Tuckerman, Mark E c

a UNIVERSITY OF EDINBURGH (United Kingdom)

b NEW YORK UNIVERSITY (United States)

c NEW YORK UNIVERSITY (United States)

Author keywords

Flexible water; Molecular dynamics; Multiple time stepping; Resonance; Stochastic isokinetic dynamics

Indexed keywords

BIOMOLECULAR SYSTEM; COARSE GRAINED MODELS; FLEXIBLE WATER MODELS; INTERPARTICLE FORCE; RESONANCE PHENOMENA; STATISTICAL DISTRIBUTION; TIME STEPPING ALGORITHMS; TIME-STEPPING;

ALGORITHMS; DYNAMICAL SYSTEMS; EQUATIONS OF MOTION; LARGE SCALE SYSTEMS; RANDOM PROCESSES; RESONANCE; STOCHASTIC SYSTEMS; TIME MEASUREMENT;

MOLECULAR DYNAMICS;

EID: 84889568848 PISSN: 00268976 EISSN: 13623028 Source Type: Journal
DOI: 10.1080/00268976.2013.844369 Document Type: Article

Times cited : (73)

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