Scripts related to the Large-scale Atomic Molecular Massively Parallel Simulator
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Updated
Nov 9, 2019 - Shell
Scripts related to the Large-scale Atomic Molecular Massively Parallel Simulator
Scripts related to the Alloy Theoretic Automated Toolkit
deploying GPAW DFT software with docker & Alpine Linux
Collection of ONCVPSP pseudopotentials for density-functional theory calculations
Data and code for the publication "Testing the Limits of the Global Instability Index"
Transfer Li ions from cathode to anode in MD simulations
While studying materials science, I'm sharing helpful scripts and VASP input files.
MACE-MP models
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