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Quantum Molecular Dynamics in the Post-Petaflops Era.
Nichols A. Romero
Aiichiro Nakano
Katherine Riley
Fuyuki Shimojo
Rajiv K. Kalia
Priya Vashishta
Paul C. Messina
Published in:
Computer (2015)
Keyphrases
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molecular dynamics
high performance computing
parallel computing
massively parallel
computing systems
molecular dynamics simulations
computing resources
grid computing
fault tolerance
scientific data
energy efficiency
database systems
motion estimation
shared memory