ashtonmv / twod_materialsLinks
High throughput workflow tools for characterizing 2D materials in VASP.
☆22Updated 2 years ago
Alternatives and similar repositories for twod_materials
Users that are interested in twod_materials are comparing it to the libraries listed below
Sorting:
- A collection of structures, force constants and phonon data obtained from first-principles calculations☆40Updated 5 years ago
- MatID is a python package for identifying and analyzing atomistic systems based on their structure. MatID is designed to help researchers…☆23Updated last year
- MAISE Module for Ab Initio Structure Evolution (MAISE)☆35Updated last month
- Course materials for NANO 106 - Crystallography of Materials☆36Updated 3 years ago
- Toolkit using the Atomistic Simulation Environment (ASE)☆20Updated 5 years ago
- A physics computational framework for python and ipython☆38Updated 4 months ago
- Repository for spectral neighbor analysis potential (SNAP) model development.☆37Updated 5 years ago
- Genetic algorithm for structure and phase prediction interfaced to GULP, LAMMPS and VASP.☆57Updated 2 years ago
- Onsager coefficients for interstitial and vacancy-mediated diffusion☆13Updated 9 months ago
- A module for ASE for elastic constants calculation.☆47Updated 9 months ago
- Toolkit for visualizing phase stability and defects diagrams from DFT calculations of multicomponent materials.☆19Updated last year
- Pymatgen-db provides an addon to the Python Materials Genomics (pymatgen) library (https://pypi.python.org/pypi/pymatgen) that allows the…☆51Updated last week
- ☆24Updated 11 months ago
- MAterials Simulation Toolkit for use with pymatgen☆17Updated last year
- Extracts full elastic tensor from VASP OUTCAR and calculates some useful quantities☆26Updated 10 years ago
- Utility for applying the distortion symmetry method.☆28Updated last year
- Examples of using the Atomic Simulation Environment☆37Updated 9 years ago
- Julia codes to play with Phonons☆24Updated 7 years ago
- A software to calculate thermal conductivity quickly and accurately☆35Updated 5 years ago
- A collection of command line utilities for manipulating VASP input / outpu☆25Updated 3 years ago
- Some ongoing projects in Zhu's group☆28Updated last year
- A collection of crystal structures from first-principles simulations☆35Updated 5 years ago
- Natural Bond Orbital algorithm to handle systems characterized by periodic symmetry☆21Updated 3 years ago
- A shell script for calculating many interesting materials' parameters for photovoltaic applications, includng Band gap, polarisation☆23Updated 10 years ago
- Inverse Design of Materials by Multi-objective Differential Evolution☆50Updated 6 years ago
- Fermi surface generation, analysis and visualisation.☆98Updated 2 weeks ago
- potfit force-matching code☆42Updated last year
- Magnetic critical temperature Calculator☆17Updated last year
- quick analysis of vasp calculation☆38Updated last year
- Parallel C/Python package for numerical analysis of PAW DFT wavefunctions☆33Updated 4 years ago