Metascalable Quantum Molecular Dynamics Simulations of Hydrogen-on-Demand

International Conference for High Performance Computing, Networking, Storage and Analysis, SC

Volumn 2015-January, Issue January, 2014, Pages 661-673

  Nomura, Ken Ichi ^a   Kalia, Rajiv K ^a   Nakano, Aiichiro ^a   Vashishta, Priya ^a   Shimamura, Kohei ^b   Shimojo, Fuyuki ^b   Kunaseth, Manaschai ^c   Messina, Paul C ^d   Romerod, Nichols A ^d  

^a University of Southern California   (United States)

^b KUMAMOTO UNIVERSITY   (Japan)

^c NATIONAL SCIENCE AND TECHNOLOGY DEVELOPMENT AGENCY   (Thailand)

^d ARGONNE NATIONAL LABORATORY   (United States)

Author keywords

Density functional theory; Divide and conquer; On demand hydrogen production

Indexed keywords

ALGORITHMS; DEGREES OF FREEDOM (MECHANICS); DIGITAL ARITHMETIC; DOMAIN DECOMPOSITION METHODS; HYDROGEN PRODUCTION; MOLECULAR DYNAMICS; RENEWABLE ENERGY RESOURCES; SUPERCOMPUTERS;

COMPUTATIONAL COSTS; DIVIDE AND CONQUER; PARALLEL EFFICIENCY; PRODUCTION SIMULATION; QUANTUM MOLECULAR DYNAMICS; RENEWABLE ENERGY TECHNOLOGIES; SELF-CONSISTENT-FIELD ITERATIONS; TIME-TO-SOLUTION;

DENSITY FUNCTIONAL THEORY;

EID: 84936950974     PISSN: 21674329     EISSN: 21674337     Source Type: Conference Proceeding    
DOI: 10.1109/SC.2014.59     Document Type: Conference Paper

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