JuntaoHuang / multiscale-chemical-reaction
This repo contains the code for the paper "Data-driven discovery of multiscale chemical reactions governed by the law of mass action"
☆10Updated 2 years ago
Related projects ⓘ
Alternatives and complementary repositories for multiscale-chemical-reaction
- A Differentiable Reacting Flow Simulation Package in PyTorch☆44Updated 3 years ago
- Learn essential numerical methods for chemical engineering applications with practical Python and MATLAB examples.☆17Updated 8 months ago
- PyStokes: phoresis and Stokesian hydrodynamics in Python. github.com/rajeshrinet/pystokes☆45Updated last week
- Stiff-PINN: Physics-Informed Neural Network for Stiff Chemical Kinetics☆49Updated 2 years ago
- RHEOS - Open Source Rheology data analysis software☆40Updated 2 months ago
- Pytherm: An open-source scientific tool for thermodynamic modeling☆15Updated 3 weeks ago
- Python package for analyzing and representing droplets and emulsions☆12Updated last month
- The VECMA toolkit for creating surrogate models of multiscale systems.☆17Updated 4 months ago
- mechanoChemML library☆16Updated last year
- ☆13Updated 3 months ago
- Chemical Reaction Neural Network☆77Updated 3 months ago
- UW CHEME 375 and applications in CHEME 310, 326. Chemical engineering scientific computing and numerical methods. Topics include curve fi…☆12Updated last year
- Sparse Identification of Nonlinear Dynamics for Boundary Value Problems☆12Updated 3 years ago
- Mass and energy differential analysis for a Packed Bed Reactor (PBR) to produce the fuel additive MMH. This design was completed for my C…☆15Updated 5 years ago
- Deep reinforcement learning for design of distillation column trains (chemical engineering process synthesis)☆31Updated 3 years ago
- The amazing Reaction Mechanism Simulator for simulating large chemical kinetic mechanisms☆75Updated 2 weeks ago
- A data-driven tool to predict the reaction order of homogeneous gas-phase reactions. Includes machine learning experiments on the NIST Ch…☆20Updated 5 years ago
- Estimation of thermodynamics properties and vapor-liquid equilibrium calculations☆18Updated last year
- Applied Numerical Computing Course☆27Updated last year
- The 'dwsimopt' is a Python library that automates DWSIM simulations for process optimization.☆21Updated last year
- An open source python library for equilibrium calculation based on global minimization of Gibbs free energy.☆43Updated 2 years ago
- ☆38Updated last month
- Using PINN to predict cyclic voltammetry with knowledge of only boundary condition and diffusion law☆13Updated last year
- This is a practical course designed for chemical engineers that want to learn the basics of AI. The course is very practical and will cov…☆25Updated 9 months ago
- CNF'16: "A global pathway selection algorithm for the reduction of detailed chemical kinetic mechanisms"☆26Updated 3 years ago
- Sample codes of CNN-SINDy based reduced-order modeling for fluid flows by Fukami et al., JFM 2021.☆22Updated 3 years ago
- This repository contains a practical course designed for chemical engineers that want to learn how to solve exercises and program in Pyth…☆52Updated 7 months ago
- A highly efficient, flexible, and accurate implementation of thermodynamic EOS powered by automatic differentiation☆52Updated this week
- Physics-Informed Neural Networks for Solving Multiscale Mode-Resolved Phonon Boltzmann Transport Equation☆18Updated 3 years ago
- Simulation methods for particle systems, materials, and complex fluids with fluctuating hydrodynamics approaches (stochastic immersed bou…☆10Updated last year