Asynchronous replica exchange for molecular simulations

Journal of Computational Chemistry

Volumn 29, Issue 5, 2008, Pages 788-794

  Gallicchio, Emilio ^a   Levy, Ronald M ^a   Parashar, Manish ^b  

^a RUTGERS UNIVERSITY   (United States)

^b RUTGERS UNIVERSITY   (United States)

Author keywords

Asynchronous communication; Grid computing; Hybrid Monte Carlo; Melting curve; Processor utilization efficiency; Replica exchange method; Temperature equilibriation rate

Indexed keywords

ALGORITHMS; COMPUTER SIMULATION; MOLECULAR DYNAMICS; MONTE CARLO METHODS; PROGRAM PROCESSORS; SYNCHRONIZATION;

ASYNCHRONOUS COMMUNICATION; ASYNCHRONOUS REPLICA EXCHANGE; COMPUTATIONAL GRIDS; MOLECULAR SYSTEM;

GRID COMPUTING;

EID: 40549122637     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.20839     Document Type: Article

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