Python library to compute properties of quantum tight binding models, including topological, electronic and magnetic properties and including the effect of many-body interactions.
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Updated
Aug 4, 2024 - Python
Python library to compute properties of quantum tight binding models, including topological, electronic and magnetic properties and including the effect of many-body interactions.
An electronic structure package based on either plane wave basis or numerical atomic orbitals.
Main repository for QMCPACK, an open-source production level many-body ab initio Quantum Monte Carlo code for computing the electronic structure of atoms, molecules, and solids with full performance portable GPU support
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Fast and simple way to electronic structure methods.
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Docker image for DFT and MD codes
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