Accelerating molecular dynamics simulations by linear prediction of time series

Journal of Chemical Physics

Volumn 118, Issue 14, 2003, Pages 6179-6187

  Brutovsky, B ^a,b   Mulders T ^a   Kneller, G R ^a  

^a CENTRE DE BIOPHYSIQUE MOLÉCULAIRE   (France)

^b P J AFÁRIK UNIVERSITY   (Slovakia)

Author keywords

[No Author keywords available]

Indexed keywords

ALGORITHMS; ASYMPTOTIC STABILITY; BOND STRENGTH (CHEMICAL); CALCULATIONS; CHEMICAL BONDS; COMPUTER SIMULATION; CORRELATION METHODS; MOLECULES; OXYGEN; TIME SERIES ANALYSIS; VELOCITY;

AUTOREGRESSIVE MODEL; FLEXIBLE MOLECULES; LINEAR PREDICTION OF FORCE TIME SERIES; LYAPUNOV INSTABILITIES; TAYLOR EXPANSION; VELOCITY AUTOCORRELATION FUNCTION;

MOLECULAR DYNAMICS;

EID: 17044443084     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1559033     Document Type: Article

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