Molecular Dynamics Algorithm for Multiple Time Scales

Tuckerman, M. E., Berne, B. J., & Rossi, A. (1991). Molecular Dynamics Algorithm for Multiple Time Scales: Systems with Disparate Masses. The Journal of Chemical Physics, 94(2), 1465-1469.

Type

Journal article

Intellectual base

Primary research

Year

1991

Volume

94

Issue

2

Pages

1465-1469

DOI

10.1063/1.460004

DOI registrant

AIP Publishing

Link

https://doi.org/10.1063/1.460004

Cited by

1 citation across 1 artifact.

Domain-specific

• Reversible reference system propagation algorithm
  • Treatment is descriptive and nonprocedural: it explains algorithmic roles and validation obligations without providing simulation recipes, force-field settings, or operational laboratory guidance.

Verification

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