An initio molecular-dynamics simulation method for complex liquids

DOI10.1016/S0010-4655(01)00377-0zbMath0991.82516OpenAlexW2068188333MaRDI QIDQ5956370

Y. Zempo, Kozo Hoshino, Fuyuki Shimojo

Publication date: 25 August 2002

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

Full work available at URL: https://doi.org/10.1016/s0010-4655(01)00377-0

zbMATH Keywords

density functional theorymolecular dynamicsliquid metal

Mathematics Subject Classification ID

Statistical mechanics of liquids (82D15)

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