Decomposition-order effects of time integrator on ensemble averages for the Nosé-Hoover thermostat

Journal of Chemical Physics

Volumn 139, Issue 6, 2013, Pages

  Itoh, Satoru G ^a,b   Morishita, Tetsuya ^a,c   Okumura, Hisashi ^a,b  

^a INSTITUTE FOR MOLECULAR SCIENCE   (Japan)

^b GRADUATE UNIVERSITY FOR ADVANCED STUDIES   (Japan)

^c NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY AIST   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

ARGON ATOMS; DIFFERENT TIME STEPS; ENSEMBLE AVERAGES; MD SIMULATION; MOLECULAR DYNAMICS SIMULATIONS; SYSTEM SIZE; TIME DEVELOPMENT; TIME INTEGRATORS;

LIQUIDS; MOLECULAR DYNAMICS;

THERMOSTATS;

EID: 84903362010     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4817194     Document Type: Article

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