Accelerated causal Green's function molecular dynamics

DOI10.1016/J.CPC.2022.108378OpenAlexW4224291096MaRDI QIDQ2701217

Vinod K. Tewary, S. O. Dantas, V. R. Coluci

Publication date: 28 April 2023

Published in: Computer Physics Communications (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1016/j.cpc.2022.108378

zbMATH Keywords

Green's functionsparallel processingmolecular dynamics

Mathematics Subject Classification ID

Numerical analysis (65-XX) Statistical mechanics, structure of matter (82-XX)

Uses Software

• Unnamed Item

Cites Work

• An improved version of the Green's function molecular dynamics method
• Implementation of Green's function molecular dynamics: an extension to LAMMPS
• A generalized parallel replica dynamics
• Fast parallel algorithms for short-range molecular dynamics
• LAPACK Users' Guide

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