marvel-nccr / quantum-mobileLinks
A Virtual Machine for computational materials science
☆94Updated 4 months ago
Alternatives and similar repositories for quantum-mobile
Users that are interested in quantum-mobile are comparing it to the libraries listed below
Sorting:
- Open-source library for analyzing the results produced by ABINIT☆133Updated 2 weeks 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
- A simulation package of phonon-phonon interaction related properties☆154Updated this week
- A module to obtain and visualize k-vector coefficients and obtain band paths in the Brillouin zone of crystal structures☆147Updated 9 months ago
- Full public release of large scale and linear scaling DFT code CONQUEST☆115Updated last month
- Analysis of quantum chemical interactions in molecules and solids.☆113Updated last week
- Atomistica is a library of interatomic potentials that is compatible with ASE and LAMMPS☆92Updated last month
- JDFTx: software for joint density functional theory☆99Updated last month
- A library of ultrasoft and PAW pseudopotentials☆92Updated 3 years ago
- Python package to analyse electron density & electrostatic potential grids☆89Updated this week
- Fermi surface generation, analysis and visualisation.☆97Updated last week
- ASE density-functional tight-binding calculator☆68Updated 11 months ago
- A Python library for electronic structure pre/post-processing☆196Updated this week
- Python package that enables high throughput analysis of interfaces(two dimensional materials, hetero-structures, nanoparticles with and w…☆76Updated last year
- 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
- A toolbox for quickly build inputs and analyze results of DFT codes☆44Updated 2 years ago
- Electronic transport properties from first-principles calculations☆158Updated last week
- Pymatgen-db provides an addon to the Python Materials Genomics (pymatgen) library (https://pypi.python.org/pypi/pymatgen) that allows the…☆51Updated this week
- Atomistic Manipulation Toolkit☆94Updated 5 months ago
- The official AiiDA plugin for Quantum ESPRESSO☆72Updated last month
- A module for ASE for elastic constants calculation.☆47Updated last week
- Simulation Package for Ab-initio Real-space Calculations☆94Updated last month
- Python interface for VASP☆89Updated this week
- Python library written in C++ for calculation of local atomic structural environment☆69Updated last year
- Python framework for generating and validating pseudo potentials☆50Updated 2 years ago
- General purpose tools for high-throughput catalysis☆100Updated 7 months ago
- First-principles statistical mechanical software for the study of multi-component crystalline solids☆123Updated 2 years ago
- The program allows you to create regular structure supercell from cif file with partial occupancy and/or substitutions.☆103Updated last year
- ase interface for Quantum Espresso☆68Updated 5 years ago