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Updated: Oct 19, 2025

Analyzing Melts and Fluids from Ab Initio Molecular Dynamics Simulations with the UMD Package
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Analyzing Melts and Fluids from Ab Initio Molecular Dynamics Simulations with the UMD Package

Published on: September 17, 2021

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Molecular dynamics simulation of octacosane for phase diagrams and properties via the united-atom scheme

L Dai1, P P Rutkevych2, S Chakraborty1

  • 1Institute of High Performance Computing, Agency for Science, Technology and Research (A*STAR), Singapore. davidwu@ihpc.a-star.edu.sg.

Physical Chemistry Chemical Physics : PCCP
|September 20, 2021
PubMed

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