microkinetics

There are 0 repository under microkinetics topic.

geem-lab / overreact
⚛️📈 Create and analyze chemical microkinetic models built from computational chemistry data. Crafted at the @geem-lab.
computational-chemistry computational-chemistry-logfiles automation cli dsl chemical-kinetics reactions in-silico thermochemistry qrrho rrho quantum-tunneling first-principles microkinetics python library modeling overreact
Language:Python 56
PytLab / scaks-hub
SCAKS-Hub: A flask-powered web app for micro-kinetics analysis
catalyst microkinetics flask-web computational-chemistry catynetics
Language:JavaScript 12
ericfell / rfbzero
Redox flow battery electrochemical cycling models in Python
batteries battery-models microkinetics python simulation rfbzero
Language:Python 8
geem-lab / overreact-guide
⚛️📈 Create and analyze chemical microkinetic models built from computational chemistry data
python cli automation library dsl first-principles computational-chemistry reactions chemical-kinetics thermochemistry microkinetics in-silico quantum-tunneling rrho computational-chemistry-logfiles qrrho guide website modeling overreact
Language:Jupyter Notebook 8
MKM_NH3
domoina27 / MKM_NH3
Microkinetic model
chemistry microkinetics
Language:Python 4
LLNL / firecat
FireCat
electrochemistry finite-element-methods microkinetics multiscale-simulation python application simulation
Language:Jupyter Notebook 4
aab64 / microkineticModel_CO_oxidation
Matlab scripts for simulating CO oxidation on copper
cooxidation microkinetics reactor
Language:MATLAB 1
Shyamdeokr / Bayesian_CO_oxidation
Bayesian correction to DFT energetics for CO oxidation microkinetics
bayesian-inference density-functional-theory microkinetics
Language:Python 0