materialsproject / workshop-2017
Assets for the 2017 Materials Project workshop
☆20Updated 7 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:
- Assets for the Materials Project workshop in Aug 2016☆12Updated 8 years ago
- Course materials for NANO 106 - Crystallography of Materials☆34Updated 2 years ago
- Python package that enables high throughput analysis of interfaces(two dimensional materials, hetero-structures, nanoparticles with and w…☆75Updated last year
- Genetic algorithm for structure and phase prediction interfaced to GULP, LAMMPS and VASP.☆57Updated last year
- Repository for spectral neighbor analysis potential (SNAP) model development.☆36Updated 4 years ago
- Toolkit using the Atomistic Simulation Environment (ASE)☆19Updated 5 years ago
- A module for ASE for elastic constants calculation.☆41Updated 3 months ago
- MAISE Module for Ab Initio Structure Evolution (MAISE)☆34Updated 10 months ago
- Some ongoing projects in Zhu's group☆28Updated last year
- ☆37Updated 6 years ago
- Materials Interface: methods in computational materials science☆25Updated 8 years ago
- LAMMPS plugins for thermal conductivity and density of states calculation☆47Updated 6 years ago
- ASE density-functional tight-binding calculator☆66Updated 3 months ago
- Examples of using the Atomic Simulation Environment☆34Updated 9 years ago
- Molecular Simulation with Machine Learning - On-line workshop, July 13-14, 2020☆22Updated 4 years ago
- Gaussian and Lorentzian smearing of simulated spectra☆40Updated 7 months ago
- materialsvirtuallab / 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 4 years ago
- A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.☆41Updated last year
- A collection of crystal structures from first-principles simulations☆32Updated 5 years ago
- high dimensional neural network potential☆23Updated 2 years ago
- Density Functional Theory with Finite Difference and Lagrange Function Basis Sets☆14Updated 9 years ago
- materials.sh☆10Updated 5 years ago
- ☆50Updated 2 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…☆70Updated last year
- generator of simple atomistic models☆27Updated 6 years ago
- quick analysis of vasp calculation☆35Updated 11 months ago
- Modules for cross validation, evaluation and plot of SISSO☆15Updated 5 years ago
- DEPRECATED: Simple python scripts to somehow mangle CP2K output and generate some input☆25Updated 6 years ago
- Python package to analyse electron density & electrostatic potential grids☆87Updated last year
- A tool for streamlining data analysis and visualisation for thermoelectrics and charge carrier transport in computational materials scien…☆52Updated last week