oliverrdz / EchemSimulationsLinks
Python scripts to perform electrochemistry simulations.
☆12Updated 3 years ago
Alternatives and similar repositories for EchemSimulations
Users that are interested in EchemSimulations are comparing it to the libraries listed below
Sorting:
- Open source electrochemistry simulator of typical techniques (CV, CA) and GUI.☆24Updated 3 years ago
- Interactive Python Notebooks for Physical Chemistry☆31Updated 2 years ago
- A framework for processing adsorption data and isotherm fitting☆78Updated 8 months ago
- The database of chemical parameters used with Reaction Mechanism Generator☆117Updated this week
- Teaching Utility for Classical Atomistic Simulation.☆30Updated last year
- Files used in TMP Chem videos on physical chemistry☆28Updated 11 years ago
- ☆44Updated 6 months ago
- Lammps tutorial: graphene simulations☆33Updated 5 years ago
- Examples LAMMPS simulations to generate thermodynamic properties of simple molecular models☆87Updated 4 years ago
- Provides some useful information and the LAMMPS input files to model a polymer-metal interface.☆38Updated 4 years ago
- Functions implementing the PC-SAFT equation of state, including association, electrolyte and dipole terms☆54Updated last year
- Ideal Adsorbed Solution Theory☆59Updated 4 years ago
- A collection of Python scripts for computing physical properties and analyzing trajectories from molecular dynamics simulations.☆20Updated last month
- Course notes for the CMU course 06-262 Math Methods of Chemical Engineering (ODE's, linear algebra, PDEs, stats) in the form of jupyter n…☆24Updated 3 years ago
- ARC - Automatic Rate Calculator☆46Updated 2 weeks ago
- A Python package for adsorption processes☆27Updated last month
- General purpose tools for high-throughput catalysis☆97Updated 6 months ago
- Pizza.py is a loosely integrated collection of tools written in Python, many of which provide pre- and post-processing capability for th…☆70Updated 4 years ago
- Required LAMMPS and MATLAB files for several molecular dynamics simulations.☆42Updated 4 years ago
- LAMMPS tutorials for both beginners and advanced users☆127Updated last month
- Simulation Input/Output for LAMMPS with ReaxFF for Atomistic Corrosion Modelling☆30Updated 6 years ago
- Python scripts for dealing with molecular dynamics script for LAMMPS☆17Updated 3 years ago
- A tool for performing post-processing of lammps log files☆13Updated 4 years ago
- Python Cyclic Voltammetry Simulator based on MECSim☆25Updated 4 years ago
- ☆39Updated 3 weeks ago
- Catalyst Micro-kinetic Analysis Package for automated creation of micro-kinetic models used in catalyst screening☆112Updated last year
- Fitting thermodynamic models with pycalphad - https://doi.org/10.1557/mrc.2019.59☆75Updated 3 weeks ago
- ☆100Updated 6 months ago
- How-to perform LAMMPS simulations☆15Updated last year
- Automated reaction pathway search for gas-phase molecules☆59Updated 2 weeks ago