A tool to convert opensim 4.0+ MSK models into MuJoCo format with optimized muscle kinematics and kinetics

Simulate experimental data and optimize chemical kinetics mechanisms with this GUI-based application

At here, a set of optimization code is provided to interpret TGA data in terms of lumped kinetics. Distributed activation energy model is used. One assumption of this model is that it considers parallel reaction kinetics for each peak and the non-zero peak-tail in DTG.

Jupyter Hub Code for the multi strategy optimization of Reaction Kinetics for Methanol Synthesis

PILLTOP: Multi-Material Topology Optimization of Polypills for Prescribed Drug-Release Kinetics

Chemical kinetics reduction based on non-linear optimization

Kinetics Parameter Optimization based on Arrhenius.jl

Comprehensive MATLAB simulations for Batch, CSTR, and PFR reactors, focusing on first-order reaction kinetics and reactor design optimization. This project includes numerical solutions to differential equations, parameter optimization, and detailed analysis to enhance the efficiency of chemical processes.

Simulating and optimizing solid, cryogenic, and hybrid rocket engine propulsion systems by using machine learning is a complex and ambitious task. Such simulations typically involve a combination of fluid dynamics, thermodynamics, combustion kinetics, and control systems.

In this work I designed and analyzed the core of a Molten Chloride Fast Reactor in MCNP6. The reactor was designed based off three parametric studies to obtain a critical reactor. The parameteric studies consisted of a fuel composition study, reactor geometry study, and vessel thickness study. Once an optimized critical reactor was designed, the temperature reactivity and reactor shutdown studies were conducted. The temperature reactivity study simulated the keff as the fuel salt increased in temperature. The Boron control rods were designed for a proper reactor shutdown margin. A 1 year BURN study was conducted, which measured neutron kinetics, neutron leakage, average core neutron flux, and the radial neutron flux.

Automated computational workflow for steel alloy design using Python and Thermo-Calc. Integrates phase analysis, stacking fault energy, multi-objective optimization, precipitation kinetics, and annealing optimization.

An algorithm is develped to optimize the kinetics parameters in the UnreactedShrinkingCoreModel and GrainModel to ahieve accurate simulation of the pellet reduction process by pure hydrogen

A Python-based computational platform for fitting mono- and polyauxic microbial growth kinetics using semi-mechanistic, multi-phase sigmoidal models. It bridges empirical curve fitting and biological interpretation through robust optimization, model selection, and uncertainty quantification.

The saponification of ethyl acetate with sodium hydroxide in a CSTR is modeled using second-order kinetics, where perfect mixing ensures outlet and reactor concentrations are equal. Material and energy balances predict steady-state and dynamic behavior, with simulations in MATLAB or Aspen used for design, optimization, and control studies.

Implementation of unconstrained optimization with MATLAB

reaction kinetics simulation and parameter optimization

Kinetics of important Mechanisms, prepared to constrained optimization

Reactor Point Kinetics parameters determination by ODE-constrained optimization

Matlab optimization program for halogenic atom kinetics involving sulfate radicals.

Numerical Transition from Diesel to Hydrogen in CI Engines: Kinetics, Emissions, and Optimization with EGR

The aim of the KinOpt project is to use kinetics data to perform isoconversional analysis and model optimization.

Bayesian prediction for physical models with application to the optimization of the synthesis of pharmaceutical products using chemical kinetics

High-performance ODE solver for chemical kinetics and industrial process modeling. Optimized for stability analysis.

A consolidated mechanism optimization suite for combustion kinetics. This repository reorganizes and extends earlier mechanism optimization code into a modular framework for Cantera/Chemkin mechanisms, enabling ignition delay, flame speed analysis, and optimization workflows.

Research projects exploring bioethanol, phytochemical and bioactive compound valorization from agro-waste, drying kinetics, and optimization of sustainable food processing systems.

Helping a Biochemistry Professor simulate Enzyme Kinetics to optimize the value of nh in substrate activity.

The project explores the gap between empirical statistics (Black Box), mechanistic biological kinetics (White Box), and modern machine learning optimization techniques (Grey Box)

This is an open-source program made using Scilab with a GUI for modelling, simulation and optimization of fermentation kinetics, especially Solid State Fermentations (SSF).

First-principles simulation of batch reactor kinetics (A→B→C) using Python & Scipy to optimize yield under thermal constraints.

Pyomo-based framework for mechanistic modeling and dynamic optimization of enzymatic cascades immobilized in porous particles, featuring reaction-diffusion modeling, enzyme deactivation kinetics, and flexible spatial immobilization distributions.