yizhengkuaikourou

yizhengkuaikourou's Stars

• winterPack/ReaxFF-Optimization

  Training code used to optimize reaxff force field (via LAMMPS)

  Language:Python186

• Eipgen/machine-learning-notes

  This is the notes of the way of machine learning study. You may find something useful in it.

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• tongzhugroup/aimdfragmentation

  A automated fragmentation method for Ab Initio Molecular Dynamics (AIMD).

  Language:Python86

• mz8879813/LammpsPostprocessing

  Postprocessing of Lammps outfile to analyze ReaxFF dyanamics data

  Language:C++121

• yiming-xu/LAMMPS_Simulation

  Simulation Input/Output for LAMMPS with ReaxFF for Atomistic Corrosion Modelling

  Language:Jupyter Notebook265

• deepmodeling/reacnetgenerator

  an automatic reaction network generator for reactive molecular dynamics simulation

  Language:Python6538

• tongzhugroup/tongzhugroup.github.io

  Language:TeX31

• mizu-bai/Try-Lammps-ReaxFF

  An MD Experiment about ReaxFF

  Language:Python7

• Carlosal15/reaxff-postprocess

  Postprocess results of ReaxFF simulations on LAMMPS by tracking molecules (and surfaces if present), bond breaking/formation and reactions.

  Language:Python72

• dadaoqiuzhi/RMD_Digging

  RMD_digging is aimed to provide pre-processing and post-processing tools for the reactive molecular dynamics (ReaxFF) simulations based on MATLAB language, including formatting the reactive force field parameters, statistic anasysis of structures, trajectories and mechanisms and output of the visualization files.

  Language:MATLAB338