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- pyiron_grain_boundary_segregation_energies Public
An example of how to find potentials suitable for finding segregation energies to grain boundaries using DFT benchmark comparison in pyiron
materialdigital/pyiron_grain_boundary_segregation_energies’s past year of commit activity - pyiron_grain_boundary_energies Public
An example of how to validate potentials using a GB energy DFT benchmark comparison
materialdigital/pyiron_grain_boundary_energies’s past year of commit activity - heat-treatment-ontology Public
materialdigital/heat-treatment-ontology’s past year of commit activity - pmd-server Public
materialdigital/pmd-server’s past year of commit activity - ontodocker Public
materialdigital/ontodocker’s past year of commit activity - ADIS2023 Public archive
Interactive comparison of the same quantum espresso workflow implemented in Aiida, jobflow, pyiron and simstack.
materialdigital/ADIS2023’s past year of commit activity
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