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Collection of Matlab codes to solve typical CRE (Chemical Reaction Engineering) problems

MATLAB 47 15 Updated Dec 17, 2021

Catalyst Micro-kinetic Analysis Package for automated creation of micro-kinetic models used in catalyst screening

Python 1 Updated Jul 26, 2019

ase interface for Quantum Espresso

Python 1 4 Updated Apr 6, 2023

Optimization in Python: Linear and non-linear optimization methods.

Python 46 17 Updated Feb 19, 2021