Thermodynamics and Phase Equilibrium component of Chemical Engineering Design Library (ChEDL)

🌱 A fast line-by-line code for high-resolution infrared molecular spectra

Gas models, combustion and gas turbine solver.

Automated reaction pathway search for gas-phase molecules

A Differentiable Reacting Flow Simulation Package in PyTorch

Spitfire is a Python/C++ library for constructing tabulated chemistry models and solving differential equations.

AutoTST: A framework to perform automated transition state theory calculations

Performant library for thermodynamic calculations and equilibrium reactions

Source code for the paper "Data-driven reduced-order models via regularised Operator Inference for a single-injector combustion process" by S. A. McQuarrie, C. Huang, and K. E. Willcox.

Integrate Combustion thermometers with Home Assistant

Hybrid Rocket Propulsion Model [Python]

A predictive model of the turbulent burning velocity for planar and Bunsen flames over a wide range of conditions

Python libraries (NumPy-based) to perform model order reduction, clustering and data analysis for combustion and aerothermochemistry data

OpenFOAM CFD solver for flamelet progress variable (FPV) combustion model with radiation heat transfer

Robust Flamelet Solver: Mixture-Fraction based Flamelet solver with arc-length continuation

Differentiable PLOG to TROE refitter

A machine learning method to predict rate constants for various reactions in combustion kinetic models

Python libraries for soft sensing applications.

Repository to create neural network architecture for dynamic chemistry reduction based on Global Pathway Selection

Physics-informed neural network applied to premixed laminar flames -- simplified model using reaction progress variable.