Molecular dynamics simulations of aqueous ions at the liquid-vapor interface accelerated using graphics processors

Journal of Computational Chemistry

Volumn 32, Issue 3, 2011, Pages 375-385

  Bauer, Brad A ^a   Davis, Joseph E ^a,b   Taufer, Michela ^b   Patel, Sandeep ^a  

^a UNIVERSITY OF DELAWARE   (United States)

^b University of Delaware   (United States)

Author keywords

CUDA; GPU; liquid vapor interface; molecular dynamics; sodium iodide; water

Indexed keywords

ACCELERATED SIMULATIONS; ANALYSIS OF VARIOUS; AQUEOUS INTERFACES; ATMOSPHERIC PROCESS; CHEMICAL APPLICATIONS; CHEMICAL RESEARCH; CHEMICAL SYSTEMS; CUDA; FORCE FIELDS; GPU; GPU IMPLEMENTATION; GRAPHICS PROCESSING UNITS; GRAPHICS PROCESSOR; INTEGRATED PROGRAMMING; LIQUID-VAPOR INTERFACE; MD SIMULATION; MODEL SYSTEM; MOLECULAR DYNAMICS SIMULATIONS; MULTI-CORE CLUSTER; ON CURRENTS; PHYSICAL BEHAVIORS; PRECISION ARITHMETIC; PURE WATER; SALT SOLUTION; SODIUM IODIDE; SODIUM IODIDES;

COMPUTER GRAPHICS EQUIPMENT; DYNAMICS; LIQUIDS; MATHEMATICAL MODELS; MOLECULAR DYNAMICS; PROGRAM PROCESSORS; SUPERCOMPUTERS; SURFACE PROPERTIES; SURFACE TENSION; WATER VAPOR;

PHASE INTERFACES;

ION; SODIUM IODIDE; WATER;

ARTICLE; CHEMISTRY; MOLECULAR DYNAMICS;

IONS; MOLECULAR DYNAMICS SIMULATION; SODIUM IODIDE; WATER;

EID: 78650491825     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.21578     Document Type: Article

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