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Karel de Grote Hogeschool

Belgium

1 paper here87 citations across 1
fields
  • cond-mat.mtrl-sci1
ROR 05acs9g96OpenAlex

affiliations via OpenAlex

most citedHow to verify the precision of density-functional-theory implementations via reproducible and universal workflows

87 citations

collaborating institutions
  • Advanced Institute of Materials ScienceJP1 paper
  • ArcelorMittal (Belgium)BE1 paper
  • ArcelorMittal (Luxembourg)LU1 paper
  • CEA GrenobleFR1 paper
  • Center for Advanced Systems UnderstandingDE1 paper
  • Central Michigan UniversityUS1 paper
  • Commissariat à l'Énergie Atomique et aux Énergies AlternativesFR1 paper
  • École Polytechnique Fédérale de LausanneCH1 paper
  • Forschungszentrum JülichDE1 paper
  • Ghent UniversityBE1 paper
  • Hasselt UniversityBE1 paper
  • Helmholtz-Zentrum Dresden-RossendorfDE1 paper

1 paper

cond-mat.mtrl-sci2023★ 87 cited

How to verify the precision of density-functional-theory implementations via reproducible and universal workflows

Emanuele Bosoni, Louis Beal, Marnik Bercx +42

In the past decades many density-functional theory methods and codes adopting periodic boundary conditions have been developed and are now extensively used in condensed matter phys…

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