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Parallel reactive molecular dynamics: Numerical methods and algorithmic techniques.
Hasan Metin Aktulga
Joseph C. Fogarty
Sagar A. Pandit
Ananth Grama
Published in:
Parallel Comput. (2012)
Keyphrases
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numerical methods
molecular dynamics
differential equations
partial differential equations
scientific data
numerical solution
high performance computing
molecular dynamics simulations
level set method
protein folding
finite element method
massively parallel
fluid flow
multiscale
graph cuts
fault tolerance