Metascalable molecular dynamics simulation of nano-mechano-chemistry

Journal of Physics Condensed Matter

Volumn 20, Issue 29, 2008, Pages

  Shimojo, F ^a,b   Kalia, R K ^a   Nakano, A ^a   Nomura, K ^a   Vashishta, P ^a  

^a University of Southern California ^*  (United States)

^b KUMAMOTO UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMIC PHYSICS; ATOMS; CHEMICAL ENGINEERING; CHEMICAL REACTIONS; CONFORMAL MAPPING; DENSITY FUNCTIONAL THEORY; MOLECULAR DYNAMICS; PARALLEL ALGORITHMS; PROBABILITY DENSITY FUNCTION; QUANTUM CHEMISTRY; SUPERCOMPUTERS;

ALGORITHMIC FRAMEWORK; BILLION (CO); DATA LOCALITY; DEGREES OF FREEDOM; DENSITY-FUNCTIONAL THEORY (DFT); DIVIDE-AND-CONQUER (DAC); FIRST-PRINCIPLES; LONG-TIME DYNAMICS; MECHANO-CHEMISTRY; MECHANOCHEMICAL (MC) PROCESS; MOLECULAR DYNAMICS (MD); MOLECULAR-DYNAMICS (MD) SIMULATIONS; MULTIGRIDS; NANO ENERGETIC MATERIALS; ON-DEMAND; PARALLEL APPLICATIONS; PARALLEL EFFICIENCY; PARALLELIZATION; PETAFLOPS; QUANTUM-MECHANICAL (QM); REACTIVE FORCE FIELDS; SCALABLE ALGORITHMS; SPATIAL LOCALITY; SPATIO-TEMPORAL DATA; TEMPORAL LOCALITY;

DYNAMICS;

EID: 47349129960     PISSN: 09538984     EISSN: 1361648X     Source Type: Journal    
DOI: 10.1088/0953-8984/20/29/294204     Document Type: Conference Paper

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