Accelerated causal Green's function molecular dynamics

A Green's function formalism has been applied to solve the equations of motion in classical molecular dynamics simulations. This formalism enables larger time scales to be probed for vibration processes in carbon nanomaterials. In causal Green's function molecular dynamics (CGFMD), the tot...

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Bibliographic Details
Published in:	Computer physics communications Vol. 277; p. 108378
Main Authors:	Coluci, V.R., Dantas, S.O., Tewary, V.K.
Format:	Journal Article
Language:	English
Published:	Elsevier B.V 01.08.2022
Subjects:	Green's functions Molecular dynamics Parallel processing Molecular dynamics Parallel processing Green's functions
ISSN:	0010-4655, 1879-2944
Online Access:	Get full text
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