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Yann Pouillon
Yann Pouillon
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Year
ABINIT: First-principles approach to material and nanosystem properties
X Gonze, B Amadon, PM Anglade, JM Beuken, F Bottin, P Boulanger, ...
Computer Physics Communications 180 (12), 2582-2615, 2009
30302009
A brief introduction to the ABINIT software package
X Gonze, GM Rignanese, MJ Verstraete, JM Beuken, Y Pouillon, ...
Zeitschrift für Kristallographie-Crystalline Materials 220 (5/6), 558-562, 2005
15862005
Recent developments in the ABINIT software package
X Gonze, F Jollet, FA Araujo, D Adams, B Amadon, T Applencourt, ...
Computer Physics Communications 205, 106-131, 2016
7892016
The ABINIT project: Impact, environment and recent developments
X Gonze, B Amadon, G Antonius, F Arnardi, L Baguet, JM Beuken, ...
Computer Physics Communications 248, 107042, 2020
4762020
Siesta: Recent developments and applications
A García, N Papior, A Akhtar, E Artacho, V Blum, E Bosoni, P Brandimarte, ...
The Journal of chemical physics 152 (20), 2020
3062020
Mechanically Interlocked Single‐Wall Carbon Nanotubes
A de Juan, Y Pouillon, L Ruiz‐González, A Torres‐Pardo, S Casado, ...
Angewandte Chemie International Edition 53 (21), 5394-5400, 2014
872014
Mechanically Interlocked Single‐Wall Carbon Nanotubes
A de Juan, Y Pouillon, L Ruiz‐González, A Torres‐Pardo, S Casado, ...
Angewandte Chemie International Edition 53 (21), 5394-5400, 2014
872014
Magnetism: Molecules to Materials
E Ruiz, S Alvarez, A Rodriguez-Fortea, P Alemany, Y Pouillon, ...
Miller JS, Drillon M (2001) Magnetism: Molecules to Materials 1, 2001
662001
The psml format and library for norm-conserving pseudopotential data curation and interoperability
A García, MJ Verstraete, Y Pouillon, J Junquera
Computer Physics Communications 227, 51-71, 2018
542018
Electronic Structure and Magnetic Behavior in Polynuclear Transition‐Metal Compounds
E Ruiz, S Alvarez, A Rodríguez‐Fortea, P Alemany, Y Pouillon, ...
Magnetism: Molecules to Materials II: Models and Experiments, 227-279, 2001
512001
libvdwxc: A library for exchange–correlation functionals in the vdW-DF family
AH Larsen, M Kuisma, J Löfgren, Y Pouillon, P Erhart, P Hyldgaard
Modelling and Simulation in Materials Science and Engineering 25 (6), 065004, 2017
402017
The mechanical bond on carbon nanotubes: diameter-selective functionalization and effects on physical properties
E Martínez-Periñán, A de Juan, Y Pouillon, C Schierl, V Strauss, N Martín, ...
Nanoscale 8 (17), 9254-9264, 2016
362016
Bimodal supramolecular functionalization of carbon nanotubes triggered by covalent bond formation
S Leret, Y Pouillon, S Casado, C Navío, Á Rubio, EM Pérez
Chemical Science 8 (3), 1927-1935, 2017
302017
Structural properties of and clusters: A density functional study
C Massobrio, Y Pouillon
The Journal of chemical physics 119 (16), 8305-8310, 2003
272003
The CECAM electronic structure library and the modular software development paradigm
MJT Oliveira, N Papior, Y Pouillon, V Blum, E Artacho, D Caliste, ...
The Journal of chemical physics 153 (2), 2020
262020
The ETSF: an e-infrastructure that bridges simulations and experiments
A Matsuura, N Thrupp, X Gonze, Y Pouillon, G Bruant, G Onida
Computing in Science & Engineering 14 (1), 22-32, 2011
262011
Identifying structural building blocks in CuO6 clusters: CuO2 complexes vs CuO3 ozonides
Y Pouillon, C Massobrio
Chemical physics letters 356 (5-6), 469-475, 2002
262002
A density functional study of CuO2 molecules: structural stability, bonding and temperature effects
Y Pouillon, C Massobrio
Chemical Physics Letters 331 (2-4), 290-298, 2000
222000
Neutral and anionic CuO2: an ab inito study
Y Pouillon, C Massobrio, M Celino
Computational materials science 17 (2-4), 539-543, 2000
212000
Structural and electronic properties of small CuOm clusters
Y Pouillon, C Massobrio
Applied surface science 226 (1-3), 306-312, 2004
202004
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