PhD. candidate in Chemical Engineering at Northeastern University
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Northeastern University
- 360 Huntington ave. Boston MA, 02115
- https://github.com/comocheng
Highlights
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Cantera/cantera
Cantera/cantera PublicChemical kinetics, thermodynamics, and transport tool suite
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comocheng/ChemCheck
comocheng/ChemCheck PublicPyCanChemAndYouCan2! A tool to check chemistry, in the form of chemkin and cantera files.
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ReactionMechanismGenerator/RMG-Py
ReactionMechanismGenerator/RMG-Py PublicPython version of the amazing Reaction Mechanism Generator (RMG).
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comocheng/QE-scripts
comocheng/QE-scripts PublicThis 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.
Python
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