HPC Hardware Efficiency for Quantum and Classical Molecular Dynamics.

Vladimir V. Stegailov Nikita D. Orekhov Grigory S. Smirnov

Published in: PaCT (2015)

Keyphrases

molecular dynamics
high performance computing
massively parallel
computing systems
quantum computation
low cost
molecular dynamics simulations
scientific data
fine grained
fault tolerance
computational methods