3 citations · 3 across the 2 of their papers we have counts for
2 papers
cond-mat.mtrl-sci2025
An accurate alternative to hybrid functionals for germanium: DFT+
Abdulgaffar Abdurrazaq, Ruggero Lot, Antoine Jay +5
The accuracy of bulk property predictions in density functional theory (DFT) calculations depends on the choice of exchange-correlation functional. While the Perdew-Burke-Ernzerhof…
physics.comp-ph2024★ 3 cited
SOFI: Finding point group symmetries in atomic clusters as finding the set of degenerate solutions in a shape-matching problem
Miha Gunde, Nicolas Salles, Luca Grisanti +2
Point Group (PG) symmetries play a fundamental role in many aspects of theoretical chemistry and computational materials science. With the objective to automatize the search of PG…