Numerical irreversibility in time-reversible molecular dynamics simulation

Physica D: Nonlinear Phenomena

Volumn 195, Issue 3-4, 2004, Pages 391-397

  Komatsu, Nobuyoshi ^a   Abe, Takashi ^a,b  

^a UNIVERSITY OF TOKYO   (Japan)

^b JAPAN AEROSPACE EXPLORATION AGENCY   (Japan)

Author keywords

Irreversibility; Molecular dynamics; Round off errors

Indexed keywords

ALGORITHMS; COMPUTER SIMULATION; ERROR ANALYSIS; KINETIC THEORY; LYAPUNOV METHODS; MAXWELL EQUATIONS; THEOREM PROVING; THERMAL EFFECTS;

DISCRETIZATION; IRREVERSIBILITY; KINETIC EQUATIONS; ROUND-OFF ERRORS;

MOLECULAR DYNAMICS;

EID: 3342892304     PISSN: 01672789     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.physd.2004.05.004     Document Type: Article

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