materialsproject / workshop-2017Links
Assets for the 2017 Materials Project workshop
☆21Updated 8 years ago
Alternatives and similar repositories for workshop-2017
Users that are interested in workshop-2017 are comparing it to the libraries listed below
Sorting:
- Toolkit using the Atomistic Simulation Environment (ASE)☆20Updated 5 years ago
- Genetic algorithm for structure and phase prediction interfaced to GULP, LAMMPS and VASP.☆57Updated 2 years ago
- Repository for spectral neighbor analysis potential (SNAP) model development.☆37Updated 5 years ago
- Examples of using the Atomic Simulation Environment☆39Updated 9 years ago
- Python package that enables high throughput analysis of interfaces(two dimensional materials, hetero-structures, nanoparticles with and w…☆76Updated last year
- A collection of crystal structures from first-principles simulations☆37Updated 5 years ago
- Course materials for NANO 106 - Crystallography of Materials☆36Updated 3 years ago
- Python package to analyse electron density & electrostatic potential grids☆89Updated this week
- Python Materials Discovery Framework☆75Updated last year
- A module for ASE for elastic constants calculation.☆47Updated last week
- Materials Interface: methods in computational materials science☆26Updated 8 years ago
- materials.sh☆10Updated 6 years ago
- pwtools is a Python package for pre- and postprocessing of atomistic calculations, mostly targeted to Quantum Espresso, CPMD, CP2K and LA…☆71Updated 7 months ago
- General outline of how to perform DFT calculation using VASP with some advanced calculation topics as well☆17Updated 7 years ago
- MPmorph is a collection of tools to run and analyze ab-initio molecular dynamics (AIMD) calculations run with VASP, and is currently unde…☆73Updated last year
- Band structure plots using pymatgen and a rgb scale to look at atomic or orbital contributions.☆46Updated 7 years ago
- materialyzeai / Data-driven-First-Principles-Methods-for-the-Study-and-Design-of-Alkali-Superionic-ConductorsJupyter notebooks and data for our Chemistry of Materials article "Data-driven First Principles Methods for the Study and Design of Alkal…☆12Updated 5 years ago
- ☆61Updated 3 years ago
- Utility for applying the distortion symmetry method.☆28Updated last year
- A physics computational framework for python and ipython☆38Updated 6 months ago
- A tool for finding optimized SQS structures tool written in C++☆60Updated last month
- Blender extensions for illustrations of phonons☆67Updated 6 years ago
- MAISE Module for Ab Initio Structure Evolution (MAISE)☆36Updated 3 months ago
- A computational framework to automate point defect calculations☆38Updated 7 years ago
- Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.☆83Updated 8 months ago
- Site-Occupation Disorder☆47Updated 9 months ago
- GUI4dft - first free SIESTA oriented GUI☆27Updated 2 months ago
- potfit force-matching code☆42Updated last year
- Gaussian and Lorentzian smearing of simulated spectra☆44Updated last year
- Some ongoing projects in Zhu's group☆28Updated last year