ulissigroup / math-methods-chemical-engineeringLinks
Course notes for the CMU course 06-262 Math Methods of Chemical Engineering (ODE's, linear algebra, PDEs, stats) in the form of jupyter notebooks
☆24Updated 2 years ago
Alternatives and similar repositories for math-methods-chemical-engineering
Users that are interested in math-methods-chemical-engineering are comparing it to the libraries listed below
Sorting:
- Introduction to kinetic Monte Carlo (kMC) Simulations with Examples in Jupyter Notebooks☆26Updated 5 years ago
- Automated reaction pathway search for gas-phase molecules☆57Updated 3 months ago
- ☆29Updated 2 years ago
- ☆44Updated 2 months ago
- LVPP sigma-profile database + COSMO-SAC parametrizations☆64Updated last month
- PSA simulation code☆16Updated 2 years ago
- Python Multiscale Thermochemistry Toolbox (pMuTT)☆47Updated 3 weeks ago
- ☆36Updated 6 months ago
- Course repository for 06-623☆13Updated 5 years ago
- A Benchmark Implementation of COSMO-SAC☆65Updated last month
- Provides some useful information and the LAMMPS input files to model a polymer-metal interface.☆38Updated 3 years ago
- Input script for Monte Carlo (GCMC) simulations☆19Updated 11 months ago
- Data Science for Materials Science☆64Updated this week
- Repository for UCSD NANO 266 Quantum Mechanical Modelling of Materials☆22Updated 8 months ago
- Data files which may be used to test examples accompanying the book "Computer Simulation of Liquids" by Michael P. Allen and Dominic J. T…☆15Updated 7 years ago
- A framework for processing adsorption data and isotherm fitting☆74Updated 5 months ago
- Ideal Adsorbed Solution Theory☆56Updated 4 years ago
- Thermodynamic Phase Diagram Generator☆55Updated 3 years ago
- General purpose tools for high-throughput catalysis☆95Updated 2 months ago
- Deep eutectic solvent force field parameters (OPLS-DES)☆14Updated 3 years ago
- Pynta - an automated workflow for reaction path exploration on metallic surfaces☆39Updated 3 weeks ago
- 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…☆47Updated 2 months ago
- Simulation Input/Output for LAMMPS with ReaxFF for Atomistic Corrosion Modelling☆30Updated 6 years ago
- New version of dft-book for Quantum Espresso☆45Updated 5 years ago
- On-the-fly calculation of Transport Properties☆26Updated 2 years ago
- ☆42Updated 2 weeks ago
- Functions implementing the PC-SAFT equation of state, including association, electrolyte and dipole terms☆54Updated 11 months ago
- Python wrapper for packmol molecule packing program☆12Updated 9 years ago
- A curated list of online chemical engineering education resources☆155Updated 4 months ago
- ☆45Updated 5 years ago