Implementation of Green's function molecular dynamics: an extension to LAMMPS

DOI10.1016/j.cpc.2008.12.035zbMath1198.82005OpenAlexW2067248900WikidataQ58200982 ScholiaQ58200982MaRDI QIDQ603312

Ling Ti Kong, Carlos Campañá, Guido Bartels, Colin Denniston, Martin H. Müser

Publication date: 6 November 2010

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

Full work available at URL: https://doi.org/10.1016/j.cpc.2008.12.035

zbMATH Keywords

molecular dynamicssemi-infinite solidselastic stiffness coefficients\texttt{FixGFC}\texttt{FixGFMD}\texttt{LAMMPS}elastic Green's functions

Mathematics Subject Classification ID

Software, source code, etc. for problems pertaining to statistical mechanics (82-04)

Related Items (2)

Accelerated causal Green's function molecular dynamics ⋮ A comparative study of atomistic-based stress evaluation

Uses Software

• LAMMPS

Cites Work

• Unnamed Item
• Statistical physics II. Nonequilibrium statistical mechanics. Rev. transl. of the rev. orig. Jap. ed.
• Fast parallel algorithms for short-range molecular dynamics
• Elastic Lattice Green's Function in Three Dimensions

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