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Strategies for non-uniform sampling of molecular dynamics phase space trajectories of relaxation phenomena.
Matthew P. Kroonblawd
Thomas D. Sewell
Published in:
Comput. Phys. Commun. (2015)
Keyphrases
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phase space
molecular dynamics
dynamical systems
multi object
ordinary differential equations
molecular dynamics simulations
high performance computing
fluid flow
database systems
scientific data
biological systems
geometric features
chaotic systems