Python implementation of the multistate Bennett acceptance ratio (MBAR)
High-performance and differentiation-enabled nonlinear solvers (Newton methods), bracketed rootfinding (bisection, Falsi), with sparsity and Newton-Krylov support.
CEA computes the equilibrium composition of mixtures via free-energy minimization, and uses the resulting product concentrations to determine thermodynamic and transport properties. It includes a large database of species with thermodynamic curve-fit data, and can be used for rocket performance, detonation parameters, and shock-wave analysis.
Modern Fixed Point Systems using Pytorch
provides a modeling interface for mixed complementarity problems (MCP) and math programs with equilibrium problems (MPEC) via JuMP
Computational library for chemical thermodynamics and phase equilibrium calculation. Multiphysics and standalone estimations of chemical state and constitutive and transport properties.
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.
PorousMediaLab - toolbox for batch and 1D reactive transport modelling, docs: https://biogeochemistry.github.io/PorousMediaLab/
Source files of Helbreath v3.82 (client + server) from the Equilibrium Project.
The Pitzer model for chemical activities and equilibria in aqueous solutions in Python
This is a list of my published works. For more details check my Google Scholar profile.
Physical properties calculation using EOS and correlations
Revival of rocket design software by Antoine Lefebvre
g-eqdsk reading and writing with identification and conversion between COCOS versions
A MATLAB, Shell, M project focusing on 1. Critic and Actor Weight Changes, Algorithm Overview, 4. Control Input Changes, Running Instructions, Main Functions.
methanol+1-octanol VLE
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