Do you work with chemical reactors? Are you curious about them? ASALI is the open-source code that you are looking for. Chemical reactor models, transport/thermodynamic properties of gases, equilibrium calculations. ASALI couples all these features with an user friendly graphical interface. Modeling catalytic reactors has never been so easy.

C++ Chemical Kinetics, Thermodynaimics, and Transport Library

Proton exchange in solvent molecules using openMM

A Javascript library to estimate thermodynamic and transport properties of gas mixtures

Machine learning for state-to-state

ASALI is an open-source software for solving gas thermodynamic and transport properties, catalytic reactors and chemical equilibrium calculations.

Python code to generate Lennard-Jones parameters for combustion and detonation modeling

This repository contains the IonFit software and all the files related to it. IonFit is a python code meant to perform VTF and Walden analysis on electrolyte systems for batteries