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Numerical examination of the extended phase-space volume-preserving integrator by the Nosé-Hoover molecular dynamics equations.
Séverine Queyroy
Haruki Nakamura
Ikuo Fukuda
Published in:
J. Comput. Chem. (2009)
Keyphrases
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phase space
molecular dynamics
ordinary differential equations
dynamical systems
differential equations
multi object
numerical methods
numerical solution
molecular dynamics simulations
high performance computing
dynamic systems
scientific data
fluid flow
mathematical model
biological systems