152 citations
- University of the Basque CountryES17 papers
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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…
cond-mat.mtrl-sci2025★ 3 cited
Adjudicating Conduction Mechanisms in High Performance Carbon Nanotube Fibers
John Bulmer, Chris Kovacs, Thomas Bullard +15
The performance of carbon nanotube (CNT) cables, a contender for copper-wire replacement, is tied to its metallic and semi-conducting-like conductivity responses with temperature;…