mdapy: a flexible and efficient analysis software for molecular dynamics simulations

DOI10.1016/j.cpc.2023.108764MaRDI QIDQ6115290

Jian-Li Shao, Yongchao Wu

Publication date: 12 July 2023

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

zbMATH Keywords

parallel computingmolecular dynamicspolycrystalsimulation analysistaichi

Mathematics Subject Classification ID

Statistical mechanics, structure of matter (82-XX)

Cites Work

• Unnamed Item
• LAMMPS -- a flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales

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