An improved version of the Green's function molecular dynamics method

DOI10.1016/J.CPC.2010.10.006MaRDI QIDQ537049zbMATH OpenOpenAlexWikidataFDO

Authors Ling Ti Kong, Colin Denniston, Martin H. Müser

Publication date 31 May 2011

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

Full work available at URL https://doi.org/10.1016/j.cpc.2010.10.006

zbMATH Keywords

molecular dynamics simulationacoustic sum ruleelastic Green's functionelastic stiffness coefficients

Mathematics Subject Classification ID

Software, source code, etc. for problems pertaining to statistical mechanics (82-04) Lattice systems (Ising, dimer, Potts, etc.) and systems on graphs arising in equilibrium statistical mechanics (82B20)

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(3)

• Implementation of Green's function molecular dynamics: an extension to LAMMPS
• Accelerated causal Green's function molecular dynamics
• Wide ranging equation of state with \texttt{Tartarus}: a hybrid Green's function/orbital based average atom code

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