MACE-MP models
Collection of ONCVPSP pseudopotentials for density-functional theory calculations
Transfer Li ions from cathode to anode in MD simulations
Scripts related to the Alloy Theoretic Automated Toolkit
deploying GPAW DFT software with docker & Alpine Linux
Scripts related to the Large-scale Atomic Molecular Massively Parallel Simulator
Data and code for the publication "Testing the Limits of the Global Instability Index"
While studying materials science, I'm sharing helpful scripts and VASP input files.
Add a description, image, and links to the materials-science topic page so that developers can more easily learn about it.
To associate your repository with the materials-science topic, visit your repo's landing page and select "manage topics."