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qe_brno2022
qe_brno2022 PublicRepository of exercises for the Hands-on Workshop on Density Functional Theory held in Brno, February 2022
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classical-RPP
classical-RPP PublicGlobal optimization of Ruddlesden-Popper perovskites using a classical potential.
Python 3
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pyiron
pyiron PublicForked from pyiron/pyiron
pyiron - an integrated development environment (IDE) for computational materials science.
Jupyter Notebook
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pyiron_atomistics
pyiron_atomistics PublicForked from pyiron/pyiron_atomistics
pyiron_atomistics - an integrated development environment (IDE) for atomistic simulation in computational materials science.
Python
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