Laboratory for Materials Simulations (PSI)
Laboratory for Materials Simulations @ Paul Scherrer Institute (PSI), Switzerland
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- Switzerland
- https://www.psi.ch/en/lms
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aiida-hydrogen-restorer
aiida-hydrogen-restorer PublicWorkflows to detect missing hydrogens in crystal structures from external databases and use DFT simulations to restore them in the correct positions
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- lowdimfinder Public
psi-lms/lowdimfinder’s past year of commit activity - aiida-hydrogen-restorer Public
Workflows to detect missing hydrogens in crystal structures from external databases and use DFT simulations to restore them in the correct positions
psi-lms/aiida-hydrogen-restorer’s past year of commit activity
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