12Chao

PhD. candidate in Chemical Engineering at Northeastern University

Northeastern University360 Huntington ave. Boston MA, 02115

Pinned Repositories

bm_project
Scripts for BMA paper
Language:Jupyter Notebook01
cantera
Chemical kinetics, thermodynamics, and transport tool suite
Language:C++581342
ChemCheck
PyCanChemAndYouCan2! A tool to check chemistry, in the form of chemkin and cantera files.
Language:Python124
RMG-Py
Python version of the amazing Reaction Mechanism Generator (RMG).
Language:Python374227
QE-scripts
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.
Language:Python00
ase-espresso
ase interface for Quantum Espresso
Language:Python00
bm_project_forked
Scripts for BMA paper
Language:Jupyter Notebook00
cantera
Chemical kinetics, thermodynamics, and transport tool suite
Language:C++00
cantera-website
Official Cantera Website
Language:HTML00
ChemCheck
PyCanChemAndYouCan2! A tool to check chemistry, in the form of chemkin and cantera files.
Language:Python00

12Chao's Repositories

12Chao/RMG-Py
Python version of the amazing Reaction Mechanism Generator (RMG).
Language:Python
12Chao/bm_project_forked
Scripts for BMA paper
Language:Jupyter Notebook
12Chao/Surf_Wizzard
Scripts for surface DFT calculations
Language:Python
12Chao/GSI
GPU-friendly Subgraph Isomorphism, published in ICDE 2020
12Chao/finetuna
Active Learning for Machine Learning Potentials
Language:Python
12Chao/ase-espresso
ase interface for Quantum Espresso
12Chao/workshop-materials
Language:Jupyter Notebook
12Chao/cantera
Chemical kinetics, thermodynamics, and transport tool suite
Language:C++
12Chao/cantera-website
Official Cantera Website
Language:HTML
12Chao/myproject
This is an initiation for git
Language:Jupyter Notebook
12Chao/ChemCheck
PyCanChemAndYouCan2! A tool to check chemistry, in the form of chemkin and cantera files.
Language:Python