\textit{ms}2: a molecular simulation tool for thermodynamic properties, release 5.0

DOI10.1016/J.CPC.2025.109541MaRDI QIDQ7003901zbMATH OpenFDO

Authors Isabel Nitzke, Gabriela Guevara-Carrion, Denis Saric, Simon Homes, Simon Stephan, Robin Fingerhut, Martin Bernreuther, Hans Hasse, Jadran Vrabec

Publication date 3 April 2025

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

Full work available at URL https://doi.org/10.1016/J.CPC.2025.109541

zbMATH Keywords

molecular dynamicsmolecular simulationMonte Carlo

Mathematics Subject Classification ID

Fluid mechanics (76-XX) Statistical mechanics, structure of matter (82-XX)

Cites work

• \textit{ms}2: a molecular simulation tool for thermodynamic properties, release 4.0
• Direct molecular NVT simulation of the isobaric heat capacity, speed of sound and Joule-Thomson coefficient
• Elementary principles in statistical mechanics developed with especial reference to the rational foundation of thermodynamics.
• Equator. A function calculator
• Fast parallel algorithms for short-range molecular dynamics
• Handling three-body potentials in computer simulation
• scientific article; zbMATH DE number 3136546 (Why is no real title available?)
• Introduction to algorithms.
• LAMMPS -- a flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales
• Zur kinetischen Theorie der einatomigen Körper.

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