DWSIM - Open Source Process Simulator (.NET 10)
Professional technical website connecting reactive and thermochemical systems, modelling, publications, open tools, selected case studies, and engineering practice.
The Tandem Tool (T3) for automated chemical kinetic model development
A chemical kinetic simulation and economic optimization framework evaluating Advanced Oxidation Process (AOP) feasibility for local PFAS groundwater remediation.
Repository to create neural network architecture for dynamic chemistry reduction based on Global Pathway Selection
1-D reactive transport models with JAX
Data used for testing overreact. Includes data related to a manuscript in preparation.
⚛️📈 Create and analyze chemical microkinetic models built from computational chemistry data. Crafted at the @geem-lab.
collection of RUST structures and functions useful for chemical kinetics, chemical thermodynamics, combustion, heat and mass transfer, shock tubes and so on and so far. Work in progress. Advices and contributions will be appreciated
Julia Catalyst.jl importers for various reaction network file formats like BioNetGen and stoichiometry matrices
⚗ A package useful for chemistry written in Python
A kinetic Monte Carlo program for radical polymerization kinetics.
aplicação web em python para modelagem matemática, regressão não-linear e tratamento estatístico de dados físico-químicos de superfícies e cinética.
ODS (oxidative desulfurization) kinetics suite — 9-model nonlinear fitting with AICc selection, TOF/TON, Arrhenius analysis with confidence intervals, and residual diagnostics, in a Streamlit app.
Set up and solve reaction kinetics equations based on reaction formulas.
A Python based IC engine simulator using Cantera
The KPP kinetic preprocessor is a software tool that assists the computer simulation of chemical kinetic systems
Nonadiabatic statistical theory package for predicting kinetics of spin-dependent processes
COPASI is a software application for simulation and analysis of biochemical networks and their dynamics.
A simple toolkit based on Stochastic Analysis to model kinetics on free energy profiles
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