(Q51528717)

6 April 2018

title

Multiple time scale molecular dynamics for fluids with orientational degrees of freedom. I. Microcanonical ensemble. (English)

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author name string

Igor P Omelyan

series ordinal

1

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Andriy Kovalenko

series ordinal

2

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language of work or name

English

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publication date

1 September 2011

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Journal of Chemical Physics

published in

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volume

135

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issue

11

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page(s)

114110

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Multiple time-step methods in molecular dynamics

cites work

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21 January 2018

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Reversible multiple time scale molecular dynamics

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Biomolecular dynamics at long timesteps: bridging the timescale gap between simulation and experimentation

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A computer simulation method for the calculation of equilibrium constants for the formation of physical clusters of molecules: Application to small water clusters

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1 reference

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1 reference

Symplectic algorithms for simulations of rigid-body systems using the exact solution of free motion.

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1 reference

Canonical sampling through velocity rescaling

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1 reference

Molecular Dynamics with Multiple Time Scales: How to Avoid Pitfalls.

21 January 2018

1 reference

Molecular dynamics with coupling to an external bath

21 January 2018

1 reference

21 January 2018

Identifiers

DOI

10.1063/1.3637035

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