oliverrdz / EchemSimulationsLinks
Python scripts to perform electrochemistry simulations.
☆12Updated 3 weeks 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
- A tool for performing post-processing of lammps log files☆13Updated 4 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
- Lammps tutorial: graphene simulations☆33Updated 5 years ago
- Python scripts for dealing with molecular dynamics script for LAMMPS☆17Updated 3 years ago
- A framework for processing adsorption data and isotherm fitting☆79Updated 9 months ago
- Required LAMMPS and MATLAB files for several molecular dynamics simulations.☆43Updated 4 years ago
- How-to perform LAMMPS simulations☆16Updated 2 years ago
- LAMMPS scripts to simulate uniaxial tensile test of a graphene Sample☆35Updated 5 years ago
- Interactive Python Notebooks for Physical Chemistry☆31Updated 2 years ago
- Simulation Input/Output for LAMMPS with ReaxFF for Atomistic Corrosion Modelling☆30Updated 6 years ago
- Teaching Utility for Classical Atomistic Simulation.☆30Updated last year
- Python scripts used for the paper "Tuning MXenes towards their Use in Photocatalytic Water Splitting", published in EEM.☆13Updated 2 years ago
- A simple and fast python library to handle the data generated from molecular dynamics simulations☆86Updated last week
- Thermodynamic Phase Diagram Generator☆56Updated 3 years ago
- Fitting thermodynamic models with pycalphad - https://doi.org/10.1557/mrc.2019.59☆76Updated 3 weeks ago
- ☆44Updated this week
- Repository for the bicrystal simulations in LAMMPS used to study GB-Dislocation interaction in FCC and BCC metals☆19Updated 8 years ago
- ☆16Updated last year
- The database of chemical parameters used with Reaction Mechanism Generator☆118Updated 3 weeks ago
- Files for the MSE2001 course Introduction to Python for Materials Engineers☆61Updated last year
- Ideal Adsorbed Solution Theory☆60Updated 4 years ago
- SPPARKS Kinetic and Metropolis Monte Carlo simulator☆78Updated 2 months ago
- This code shows how to calculate an IR spectrum from a LAMMPS MD simulation.☆53Updated 7 years ago
- Fluid-phase Free-energy Calculation package for LAMMPS☆28Updated 3 years 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
- A collection of Python scripts for computing physical properties and analyzing trajectories from molecular dynamics simulations.☆20Updated 2 months ago
- Generate LAMMPS datafile of confined tribological systems for NEMD simulations. Structure: slab-OFM-alkane-OFM-slab☆11Updated 7 months ago
- A general linear model for microkinetic catalytic systems.☆10Updated 2 years ago