YP
Yann Pouillon
cond-mat.mtrl-sciphysics.comp-phcs.DBcs.DLnanotubesring-closing metathesisrotaxanessupramolecular chemistryπ interactions
On Valency
published · living versionsW_gjcdmuav·v1 · currentpublished
SIESTA-QCOMP: Bridging Classical and Quantum Computing for Strongly Correlated Systems
with Federico Marchesin, Ivano Tavernelli, Emilio Artacho
1 version
Preprints & journals
12 papers in the corpus · 2008–2026SIESTA-QCOMP: Bridging Classical and Quantum Computing for Strongly Correlated Systems2610.24616v1 · Yann Pouillon, Federico Marchesin, Ivano Tavernelli et al.2026 · 0 citationsarXivon Valency
Rapid functionalization of single-walled carbon nanotubes in polar solvents.42726848 · Just, Dominik, Siedlecki, Ryszard, Krzywiecki, Maciej et al.2026 · 1 citationScience advances. 2026;12(37):eaeb3240
Implementation of the hybrid exchange-correlation functionals in the SIESTA code2604.26108v1 · Yann Pouillon, Bill Clintone Oyomo, James Sifuna et al.2026 · 4 citationsComputer Physics Communications, Volume 323, 2026, 110086
Polar Express: Rapid Functionalization of Single-Walled Carbon Nanotubes in High Dipole Moment Media2508.09039v1 · Dominik Just, Ryszard Siedlecki, Maciej Krzywiecki et al.2025 · 0 citationsarXiv
The CECAM electronic structure library and the modular software development paradigm.32668924 · Oliveira, Micael J T, Papior, Nick, Pouillon, Yann et al.2020 · 34 citationsThe Journal of chemical physics. 2020;153(2):024117
Siesta: Recent developments and applications.32486661 · García, Alberto, Papior, Nick, Akhtar, Arsalan et al.2020 · 561 citationsThe Journal of chemical physics. 2020;152(20):204108
The PSML format and library for norm-conserving pseudopotential data curation and interoperability1707.08938v1 · Alberto Garc'ia, Matthieu Verstraete, Yann Pouillon et al.2017 · 86 citationsComputer Physics Communications 227 (2018) 51-71
libvdwxc: A library for exchange-correlation functionals in the vdW-DF family1703.06999v2 · Ask Hjorth Larsen, Mikael Kuisma, Joakim Lofgren et al.2017 · 36 citationsModelling and Simulation in Materials Science and Engineering 25 065004 (2017)
Bimodal supramolecular functionalization of carbon nanotubes triggered by covalent bond formation.28451307 · Leret, Sofía, Pouillon, Yann, Casado, Santiago et al.2024 · 38 citationsChemical science. 2017;8(3):1927-1935
The mechanical bond on carbon nanotubes: diameter-selective functionalization and effects on physical properties.27089449 · Martínez-Periñán, Emiliano, de Juan, Alberto, Pouillon, Yann et al.2018 · 45 citationsNanoscale. 2016;8(17):9254-64
Mechanically interlocked single-wall carbon nanotubes.24729452 · de Juan, Alberto, Pouillon, Yann, Ruiz-González, Luisa et al.2015 · 92 citationsAngewandte Chemie (International ed. in English). 2014;53(21):5394-400
Specification of an extensible and portable file format for electronic structure and crystallographic data0805.0192v1 · X. Gonze, C.-O. Almbladh, A. Cucca et al.2008 · 9 citationsarXiv
Career total: 51 works. 12 are in this corpus.
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