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

• jkitchin / f19-06623
  Course repository for 06-623
  ☆12Updated 4 years ago
• VlachosGroup / Intro-to-KMC
  Introduction to kinetic Monte Carlo (kMC) Simulations with Examples in Jupyter Notebooks
  ☆25Updated 5 years ago
• gustavochm / sgtpy
  ☆41Updated 5 months ago
• materialsvirtuallab / nano266
  Repository for UCSD NANO 266 Quantum Mechanical Modelling of Materials
  ☆22Updated 4 months ago
• wmfschneider / CBE60553
  Advanced Chemical Engineering Thermodynamics
  ☆21Updated 7 years ago
• gusmaogabriels / mkin4py
  A general linear model for microkinetic catalytic systems.
  ☆10Updated 2 years ago
• iRASPA / RUPTURA
  ☆31Updated 2 months ago
• PEESEgroup / PSA
  PSA simulation code
  ☆13Updated 2 years ago
• PabloPiaggi / Crystallization-of-IceIh
  Input files and results of paper: Phase equilibrium of liquid water and hexagonal from ice enhanced sampling molecular dynamics simulatio…
  ☆10Updated 3 years ago
• lvpp / pysac
  Pairwise interaction segment activity coefficients, reference implementation in Python
  ☆15Updated 10 months ago
• zadorlab / pynta
  Pynta - an automated workflow for reaction path exploration on metallic surfaces
  ☆35Updated this week
• orlandoacevedo / DES
  Deep eutectic solvent force field parameters (OPLS-DES)
  ☆13Updated 2 years ago
• atomisticnet / aenet-lammps
  Interface aenet with the LAMMPS molecular dynamics software (https://lammps.sandia.gov)
  ☆9Updated 3 weeks ago
• SimonEnsemble / mpn_charges
  predicting charges on MOF atoms via a message passing MOFs
  ☆23Updated 4 years ago
• PEESEgroup / Pure-Component-Property-Estimation
  ☆27Updated 2 years ago
• Allen-Tildesley / data
  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
• nuwan-d / polymer_metal_interface
  Provides some useful information and the LAMMPS input files to model a polymer-metal interface.
  ☆36Updated 3 years ago
• CMMRLab / LUNAR
  ☆28Updated 2 weeks ago
• elvissoares / PyDFTlj
  An python script implementation to solve classical Density Functional Theory for Lennard-Jones fluids on 1D and 3D geometries
  ☆15Updated 5 months ago
• jkitchin / dft-book-espresso
  New version of dft-book for Quantum Espresso
  ☆44Updated 4 years ago
• VlachosGroup / pMuTT
  Python Multiscale Thermochemistry Toolbox (pMuTT)
  ☆43Updated 3 months ago
• lammpstutorials / lammpstutorials-article
  LAMMPS tutorials for both beginners and advanced users: the article
  ☆17Updated this week
• simongravelle / GOMC-inputs
  Input script for Monte Carlo (GCMC) simulations
  ☆17Updated 6 months ago
• symmy596 / SurfinPy
  Thermodynamic Phase Diagram Generator
  ☆52Updated 3 years ago
• jkitchin / s20-06681
  Data science and machine learning in chemical engineering
  ☆22Updated 4 years ago
• atoms-ufrj / postlammps
  A tool for performing post-processing of lammps log files
  ☆13Updated 3 years ago
• dspoel / IR-Spectra
  Code and examples to compute IR spectra from normal mode analysis
  ☆13Updated 2 years ago
• nakulrampal / betsi-gui
  BET Surface Identification - a program that fully implements the rouquerol criteria
  ☆13Updated last year
• aryandeshwal / BO_of_COFs
  Python code for the paper Bayesian Optimization of Nanoporous Materials.
  ☆21Updated 2 years ago