156 citations · 336 across the 15 of their papers we have counts for
Showing 2023Show all
2 papers · 1 filter
cond-mat.mtrl-sci2023
The rule of four: anomalous stoichiometries of inorganic compounds
Elena Gazzarrini, Rose K. Cersonsky, Marnik Bercx +2
Why are materials with specific characteristics more abundant than others? This is a fundamental question in materials science and one that is traditionally difficult to tackle, gi…
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…