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@comocheng

CoMoChEng @ NU

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  1. ChemCheck ChemCheck Public

    PyCanChemAndYouCan2! A tool to check chemistry, in the form of chemkin and cantera files.

    Python 12 5

  2. jax-reactor jax-reactor Public

    Differentiable and hardware accelerated chemical kinetics simulations in python using JAX

    Python 6 1

  3. kineticmodelssite kineticmodelssite Public

    a django site for kinetic models

    Python 4 9

  4. cpox-methane cpox-methane Public

    Microkinetic model for catalytic partial oxidation of methane

    Python 3 1

  5. ChemKED-database ChemKED-database Public

    Forked from pr-omethe-us/ChemKED-database

    Database of ChemKED files for fundamental combustion experiments

    1 1

  6. meOH-synthesis meOH-synthesis Public

    Methanol synthesis on Cu

    HTML 1 1

Repositories

Showing 10 of 34 repositories
  • autoscience_workflow Public
    comocheng/autoscience_workflow’s past year of commit activity
    Jupyter Notebook 0 GPL-3.0 1 0 0 Updated Dec 27, 2024
  • CAXpert Public

    Coverage-dependent Adsorption energy eXpert (CAXpert) package to predict coverage effect to adsorption energy of surface species.

    comocheng/CAXpert’s past year of commit activity
    Python 0 MIT 0 0 0 Updated Dec 17, 2024
  • autoscience_models Public

    Archive for RMG models generated using Autoscience workflow

    comocheng/autoscience_models’s past year of commit activity
    Python 0 GPL-3.0 0 0 0 Updated Jul 30, 2024
  • bm_project Public

    Scripts for BMA paper

    comocheng/bm_project’s past year of commit activity
    Jupyter Notebook 0 1 0 0 Updated Jun 18, 2024
  • rmg2kmc Public
    comocheng/rmg2kmc’s past year of commit activity
    Jupyter Notebook 0 MIT 1 0 0 Updated Mar 18, 2024
  • QE-scripts Public

    This repository has the scripts to run Quantum Espresso (QE) for structure optimization and transition sate search with nudged elastic band(NEB), nudged elastic band climing image (NEB-CI) algorithm.

    comocheng/QE-scripts’s past year of commit activity
    Python 0 0 0 0 Updated Mar 14, 2024
  • ChemCheck Public

    PyCanChemAndYouCan2! A tool to check chemistry, in the form of chemkin and cantera files.

    comocheng/ChemCheck’s past year of commit activity
    Python 12 5 10 0 Updated Jan 4, 2024
  • gpuhackathon2023 Public

    A place to keep scripts and results of the Jul 2023 NERSC GPU hackathon

    comocheng/gpuhackathon2023’s past year of commit activity
    Jupyter Notebook 0 0 7 0 Updated Jul 20, 2023
  • autoscience Public

    catch all for autoscience related work

    comocheng/autoscience’s past year of commit activity
    Jupyter Notebook 0 0 0 0 Updated Apr 28, 2023
  • kineticmodelssite Public

    a django site for kinetic models

    comocheng/kineticmodelssite’s past year of commit activity
    Python 4 9 51 5 Updated Jan 4, 2023
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