Projects in Awesome Lists tagged with materials-modelling
A curated list of projects in awesome lists tagged with materials-modelling .
https://github.com/pranabdas/espresso
Notes and tutorials on Density Functional Theory calculation using Quantum ESPRESSO.
density-functional-theory dft first-principles-calculations high-performance-computing hpc materials-modelling quantum-espresso tutorial wannier
Last synced: 07 May 2025
https://github.com/openkim/kliff
KIM-based Learning-Integrated Fitting Framework for interatomic potentials.
force-fields interatomic-potentials kim machine-learning materials-modelling molecular-dynamics
Last synced: 22 Feb 2026
https://github.com/imperialcollegelondon/mse404-mm
Department of Materials @ Imperial College London course: Modelling Materials with Density Functional Theory
Last synced: 12 Apr 2025
https://github.com/ifilot/atom-architect
Visualization and building tool for electronic structure calculations
atoms materials-modelling outcar poscar vasp visualization
Last synced: 24 Jan 2026
