/ReaxFF-GCMC

Distributed as part of the publication "A ReaxFF Molecular Dynamics/Monte Carlo Method for Investigating Lithiation in Si/Polymer Anodes"

Primary LanguagePython

ReaxFF-GCMC

Code written by Manav Bhati, PhD Candidate, Chemical Engineering, Rice University, Houston, TX, 77005

Distributed as part of the publication "A ReaxFF Molecular Dynamics/Monte Carlo Method for Investigating Lithiation in Si/Polymer Anodes"