286 citations · 1.4k across the 19 of their papers we have counts for
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cond-mat.mtrl-sci2023
Tailoring magnetism of nanographenes via tip-controlled dehydrogenation
Chenxiao Zhao, Qiang Huang, Leoš Valenta +10
Atomically precise graphene nanoflakes, called nanographenes, have emerged as a promising platform to realize carbon magnetism. Their ground state spin configuration can be anticip…
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…