PhasesResearchLab / ESPEI
Fitting thermodynamic models with pycalphad - https://doi.org/10.1557/mrc.2019.59
☆69Updated last week
Alternatives and similar repositories for ESPEI:
Users that are interested in ESPEI are comparing it to the libraries listed below
- SPPARKS Kinetic and Metropolis Monte Carlo simulator☆65Updated 2 months ago
- OpenIEC: An open-source code for interfacial energy calculation in alloys☆32Updated last year
- Required LAMMPS and MATLAB files for several molecular dynamics simulations.☆39Updated 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…☆61Updated 3 years ago
- A Scheil-Gulliver simulation tool using pycalphad.☆19Updated 6 months ago
- A simple and fast python library to handle the data generated from molecular dynamics simulations☆71Updated 2 months ago
- Course materials for NANO 106 - Crystallography of Materials☆34Updated 2 years ago
- Atomistica is a library of interatomic potentials that is compatible with ASE and LAMMPS☆85Updated 10 months ago
- Phase field model for material science applications.☆24Updated 6 years ago
- An python script implementation to solve classical Density Functional Theory for Lennard-Jones fluids on 1D and 3D geometries☆15Updated 5 months ago
- A python package to simulate precipitation and diffusion behavior using Calphad☆30Updated 2 months ago
- Atomistic Manipulation Toolkit☆85Updated 3 weeks ago
- Provides some useful information and the LAMMPS input files to model a polymer-metal interface.☆36Updated 3 years ago
- A framework for processing adsorption data and isotherm fitting☆67Updated 2 weeks ago
- pyiron_atomistics - an integrated development environment (IDE) for atomistic simulation in computational materials science.☆45Updated last week
- Repository for the bicrystal simulations in LAMMPS used to study GB-Dislocation interaction in FCC and BCC metals☆16Updated 8 years ago
- A Python library to calculate elastic properties of materials.☆55Updated 2 years ago
- Python package for uncertainty quantification in CALPHAD☆11Updated 3 months ago
- Python scripts for dealing with molecular dynamics script for LAMMPS☆17Updated 2 years ago
- A module for ASE for elastic constants calculation.☆41Updated last month
- Kinetic Monte Carlo Simulator☆30Updated 4 years ago
- ☆41Updated 4 months ago
- kMC on steroids: A vigorous attempt to make lattice kinetic Monte Carlo modelling easier☆56Updated 6 years ago
- A code to estimate transport coefficients from the cepstral analysis of a (multi)variate current stationary time series -- [FKA "thermoce…☆41Updated 2 months ago
- Python library written in C++ for calculation of local atomic structural environment☆60Updated 6 months ago
- Atomistic Manipulation Toolkit☆36Updated last week
- Examples LAMMPS simulations to generate thermodynamic properties of simple molecular models☆81Updated 3 years ago
- Tools for phase field crystal modeling of two-dimensional materials.☆19Updated 5 years ago
- NIST Interatomic Potential Repository property calculation tools☆22Updated 10 months ago
- Molecular Simulation with Machine Learning - On-line workshop, July 13-14, 2020☆23Updated 4 years ago