Ab Initio Potential Energy Surfaces and Quantum Dynamics for Polyatomic Bimolecular Reactions

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Updated: Feb 12, 2026

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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Bina Fu1, Dong H Zhang1

  • 1State Key Laboratory of Molecular Reaction Dynamics and Center for Theoretical and Computational Chemistry , Dalian Institute of Chemical Physics, Chinese Academy of Sciences , Dalian 116023 , China.

Journal of Chemical Theory and Computation
|March 27, 2018
PubMed

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