The main repository of Open Quantum Platform (OpenQP)
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Dec 5, 2024 - Fortran
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abinitio
Here are 7 public repositories matching this topic...
Abinitio Dynamical Vertex Approximation
python cluster approximation calculations arxiv erc vertex dga dmft correlations dynamical adga abinitio prb abinitiodga local-correlations srvo3
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Dec 17, 2019 - Fortran
Utilities for ab initio modeling suite CRYSTAL, developed in Turin University
crystal first-principles crystallography gaussian computational-chemistry crystal-structure materials-science atomistic-simulations abinitio-simulations abinitio computational-materials crystal-ab-initio gaussian-lcao emsl
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Apr 1, 2024 - Python
A c++ library for reading and manipulating WAVECAR files from VASP
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Mar 9, 2021 - C++
Protein Structure Prediction is another biggest challenge that mankind is looking to solve. If solved or at least partially solved it could revolutionize medicine and drug industry.
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Jul 18, 2020
Converts avro dml to abinitio specific dml
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Jan 15, 2019 - Python
Experimentally constrained wave function approach within the coupled cluster formalism
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Feb 15, 2022 - Python
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