Yann Pouillon

Physics and Astronomy · Physical Sciences

14h-index4.7kcitations38works0.02yr avg
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Research Topics

Advanced Chemical Physics Studies(7), Carbon Nanotubes in Composites(7), Catalysis and Oxidation Reactions(7), Copper-based nanomaterials and applications(6), Graphene research and applications(5)

Publications38 total

Implementation of the hybrid exchange-correlation functionals in the siesta code
Computer Physics Communications·2026Open Access
Polar Express: Rapid Functionalization of Single-Walled Carbon Nanotubes in High Dipole Moment Media
arXiv (Cornell University)·2025Open Access
The CECAM electronic structure library and the modular software development paradigm.
Apollo (University of Cambridge)·2020· 40 citedOpen Access
The Abinitproject: Impact, environment and recent developments
Computer Physics Communications·2019· 696 citedOpen Access
The psml format and library for norm-conserving pseudopotential data curation and interoperability
Computer Physics Communications·2018· 72 citedOpen Access
Electronic Structure E-Cam Modules I
Zenodo (CERN European Organization for Nuclear Research)·2017Open Access
libvdwxc: a library for exchange–correlation functionals in the vdW-DF family
Modelling and Simulation in Materials Science and Engineering·2017· 34 citedOpen Access
Bimodal supramolecular functionalization of carbon nanotubes triggered by covalent bond formation
Chemical Science·2016· 36 citedOpen Access
Recent developments in the ABINIT software package
Computer Physics Communications·2016· 854 cited
The mechanical bond on carbon nanotubes: diameter-selective functionalization and effects on physical properties
Nanoscale·2016· 43 citedOpen Access
Mechanically Interlocked Single‐Wall Carbon Nanotubes
Angewandte Chemie International Edition·2014· 87 cited
Mechanically Interlocked Single‐Wall Carbon Nanotubes
Angewandte Chemie·2014· 15 citedOpen Access
Gas Sensing and Thermal Transport Through Carbon-Nanotube-Based Nanodevices
Challenges and advances in computational chemistry and physics·2014· 1 cited
Paving the way towards Abinit 8 in the post-Moore’s law era
DIGITAL.CSIC (Spanish National Research Council (CSIC))·2013Open Access
Van der Waals interactions based on maximally localized Wannier functions in ABINIT
Bulletin of the American Physical Society·2012
Collaborative software development for nanoscale physics
DIGITAL.CSIC (Spanish National Research Council (CSIC))·2012Open Access
The ETSF : an e-infrastructure to bridge simulation and experiment
Digital Access to Libraries (Université catholique de Louvain (UCL), l'Université de Namur (UNamur) and the Université Saint-Louis (USL-B))·2012· 1 cited
Wannier functions approach to van der Waals interactions in ABINIT
Computer Physics Communications·2011· 5 cited
The ETSF: An e-Infrastructure That Bridges Simulations and Experiments
Computing in Science & Engineering·2011· 25 cited
Organizing Software Growth and Distributed Development: The Case of Abinit
Computing in Science & Engineering·2011· 4 citedOpen Access
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Frequent Co-authors

Xavier Gonze(14), Carlo Massobrio(9), Matthieu J. Verstraete(8), Damien Caliste(7), Marc Torrent(5), Ángel Rubio(5), Micael J. T. Oliveira(4), Tonatiuh Rangel(4), A. Romero(4), Miguel A. L. Marques(4), Emilio M. Pérez(4), Valério Olevano(4), Bernard Amadon(3), Fabien Bruneval(3), Michel Côté(3), Luigi Genovese(3), Matteo Giantomassi(3), D. R. Hamann(3), F. Jollet(3), Giovanni Onida(3)