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.

Modern Fixed Point Systems using Pytorch

Free boundary Grad-Shafranov solver

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

GSFit: Grad-Shafranov Fit

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

Real-Time equilibrium reconstruction code

This is a list of my published works. For more details check my Google Scholar profile.

Physical properties calculation using EOS and correlations

g-eqdsk reading and writing with identification and conversion between COCOS versions

Computation of complex chemical equilibria of perfect gases and pure condensed species in order to characterize rocket motor performance. This software intends to be a replacement for the highly useful propep while allowing more flexibility.

methanol+1-octanol VLE

Scripting programming language

A MATLAB, Shell, M project focusing on 1. Critic and Actor Weight Changes, Algorithm Overview, 4. Control Input Changes, Running Instructions, Main Functions.