544 citations · 702 across the 6 of their papers we have counts for
Showing 2026Show all
2 papers · 1 filter
physics.comp-ph2026
SIESTA-QCOMP: Bridging Classical and Quantum Computing for Strongly Correlated Systems
Yann Pouillon, Federico Marchesin, Ivano Tavernelli +1
Density Functional Theory (DFT) is the established workhorse of computational materials science, yet it faces fundamental challenges with strongly correlated electrons, such as in…
cond-mat.mtrl-sci2026★ 4 cited
Implementation of the hybrid exchange-correlation functionals in the SIESTA code
Yann Pouillon, Bill Clintone Oyomo, James Sifuna +6
We present an efficient and accurate implementation of hybrid exchange-correlation (XC) functionals in the SIESTA code, enabling large-scale simulations based on Hartree-Fock-type…