Pinned Repositories
cantera
Chemical kinetics, thermodynamics, and transport tool suite
Cantera_training
HAN
jax-reactor
Differentiable and hardware accelerated chemical kinetics simulations in python using JAX
MIT_Kinetics_HW
homework assignments for MIT kinetics course 5.68
Molssi_bp_workshop
PEUQSE
Parameter estimation for complex physical problems often suffers from finding ‘solutions’ that are not physically realistic. The PEUQSE software provides tools for finding physically realistic parameter estimates, graphs of the parameter estimate positions within parameter space, and plots of the final simulation results.
prest
pynta
Pynta - an automated workflow for reaction path exploration on metallic surfaces
ReactionMechanismSimulator.jl
The amazing Reaction Mechanism Simulator for simulating large chemical kinetic mechanisms
ChrisBNEU's Repositories
ChrisBNEU/cantera
Chemical kinetics, thermodynamics, and transport tool suite
ChrisBNEU/Cantera_training
ChrisBNEU/HAN
ChrisBNEU/jax-reactor
Differentiable and hardware accelerated chemical kinetics simulations in python using JAX
ChrisBNEU/MIT_Kinetics_HW
homework assignments for MIT kinetics course 5.68
ChrisBNEU/Molssi_bp_workshop
ChrisBNEU/PEUQSE
Parameter estimation for complex physical problems often suffers from finding ‘solutions’ that are not physically realistic. The PEUQSE software provides tools for finding physically realistic parameter estimates, graphs of the parameter estimate positions within parameter space, and plots of the final simulation results.
ChrisBNEU/prest
ChrisBNEU/pynta
Pynta - an automated workflow for reaction path exploration on metallic surfaces
ChrisBNEU/ReactionMechanismSimulator.jl
The amazing Reaction Mechanism Simulator for simulating large chemical kinetic mechanisms
ChrisBNEU/RMG-database
The database of chemical parameters used with Reaction Mechanism Generator
ChrisBNEU/RMG-Py
Python version of the amazing Reaction Mechanism Generator (RMG).
ChrisBNEU/RMG-tests
Continous Integration Testing Platform for RMG-Py
ChrisBNEU/Spoon-Knife
This repo is for demonstration purposes only.
ChrisBNEU/surface_w_sensitivity
ChrisBNEU/thesis_work
notes, calculations, and data for my thesis project
ChrisBNEU/uncertainty_analysis
generating runs for RMG cat to analyze effect of changing rate rules and thermo
ChrisBNEU/workshop-materials
ChrisBNEU/zeus
⚡️ zeus: Lightning Fast MCMC ⚡️