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First Experiences with ab initio Molecular Dynamics on OpenPOWER: The Case of CPMD.
Valéry Weber
A. Cristiano I. Malossi
Ivano Tavernelli
Teodoro Laino
Costas Bekas
Manish Modani
Nina Wilner
Tom Heller
Alessandro Curioni
Published in:
ISC Workshops (2016)
Keyphrases
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molecular dynamics
high performance computing
scientific data
protein folding
molecular dynamics simulations
information systems
fluid flow
databases
distributed systems
data generation