Matthieu Verstraete

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Xavier GonzeProfessor of Computational Material Science (UCLouvain, Belgium)Verified email at uclouvain.be
Gian-Marco RignaneseDirecteur de Recherches F.R.S.-FNRS / Professeur UCLouvainVerified email at uclouvain.be
Matteo GiantomassiUniversité catholique de LouvainVerified email at uclouvain.be
Bin XuSoochow University, ChinaVerified email at suda.edu.cn
Philippe GhosezProfessor of Physics, Theoretical Materials Physics, Q-MAT, University of LiègeVerified email at ulg.ac.be
Zeila ZanolliProfessor, Quantum Modelling, Chemistry Dept, Utrecht UniversityVerified email at uu.nl
Marc TorrentCEA Bruyeres-le-Chatel, FranceVerified email at cea.fr
Aldo Humberto RomeroWest Virginia UniversityVerified email at mail.wvu.edu
Gilles ZérahCommissariat energie AtomiqueVerified email at cea.fr
Nicholas A. PikeAir Force Research Lab and UES, a BlueHalo company.Verified email at us.af.mil
Eric BousquetUniversity of LiegeVerified email at ulg.ac.be
Masayoshi MikamiPrincipal Scientist, Science & Innovation Center, Mitsubishi Chemical CorporationVerified email at m-chemical.co.jp
Yann PouillonResearcher, Universidad de CantabriaVerified email at unican.es
Razvan CaracasInstitut de Physique du Globe de Paris, CNRS, Université Paris Cité, and PHAB University of OsloVerified email at ipgp.fr
jean yves ratyVerified email at scarlet.be
Miguel Alexandre Lopes MarquesRC-FEMS, ICAMS, and Faculty of Mechanical Engineering, Ruhr University BochumVerified email at rub.de
Olle HellmanCalifornia Insitute of TechnologyVerified email at ifm.liu.se
Georg K. H. MadsenTU WienVerified email at tuwien.ac.at
Angel RubioDirector Max Planck for the Structure and Dynamics of Matter, Hamburg and Professor of Physics UHHVerified email at mpsd.mpg.de
Thibault SohierCNRS, Laboratoire Charles Coulomb, MontpellierVerified email at umontpellier.fr

Matthieu Verstraete

Professor of Physics, University of Liege, Belgium

Verified email at uliege.be - Homepage

materials science electronic structure magnetism phonons thermoelectrics


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First-principles computation of material properties: the ABINIT software project X Gonze, JM Beuken, R Caracas, F Detraux, M Fuchs, GM Rignanese, ... Computational Materials Science 25 (3), 478-492, 2002	3744	2002
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	3038	2009
A brief introduction to the ABINIT software package X Gonze, GM Rignanese, M Verstraete, JM Beuken, Y Pouillon, ... Zeitschrift für Kristallographie-Crystalline Materials 220 (5-6), 558-562, 2005	2047*	2005
The PseudoDojo: Training and grading a 85 element optimized norm-conserving pseudopotential table MJ Van Setten, M Giantomassi, E Bousquet, MJ Verstraete, DR Hamann, ... Computer Physics Communications 226, 39-54, 2018	1528	2018
BoltzTraP2, a program for interpolating band structures and calculating semi-classical transport coefficients GKH Madsen, J Carrete, MJ Verstraete Computer Physics Communications 231, 140-145, 2018	1075	2018
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	858	2016
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	596	2020
Real-space grids and the Octopus code as tools for the development of new simulation approaches for electronic systems X Andrade, D Strubbe, U De Giovannini, AH Larsen, MJT Oliveira, ... Physical Chemistry Chemical Physics 17 (47), 31371-31396, 2015	571	2015
The high conductivity of iron and thermal evolution of the Earth’s core H Gomi, K Ohta, K Hirose, S Labrosse, R Caracas, MJ Verstraete, ... Physics of the Earth and Planetary Interiors 224, 88-103, 2013	314	2013
ABINIT: Overview and focus on selected capabilities AH Romero, DC Allan, B Amadon, G Antonius, T Applencourt, L Baguet, ... The Journal of chemical physics 152 (12), 2020	265	2020
Temperature dependence of the electronic structure of semiconductors and insulators S Poncé, Y Gillet, J Laflamme Janssen, A Marini, M Verstraete, X Gonze The Journal of Chemical Physics 143 (10), 2015	188	2015
TB2J: A python package for computing magnetic interaction parameters X He, N Helbig, MJ Verstraete, E Bousquet Computer Physics Communications 264, 107938, 2021	166	2021
Thermal conductivity in PbTe from first principles AH Romero, EKU Gross, MJ Verstraete, O Hellman Physical Review B 91 (21), 214310, 2015	138	2015
Electron-beam manipulation of silicon dopants in graphene M Tripathi, A Mittelberger, NA Pike, C Mangler, JC Meyer, MJ Verstraete, ... Nano Letters 18 (8), 5319-5323, 2018	135	2018
Two-step phase transition in SnSe and the origins of its high power factor from first principles A Dewandre, O Hellman, S Bhattacharya, AH Romero, GKH Madsen, ... Physical review letters 117 (27), 276601, 2016	112	2016
Density functional theory beyond the linear regime: Validating an adiabatic local density approximation N Helbig, JI Fuks, M Casula, MJ Verstraete, MAL Marques, IV Tokatly, ... Physical Review A 83 (3), 032503, 2011	108	2011
First principles explanation of the positive seebeck coefficient of lithium B Xu, MJ Verstraete Physical review letters 112 (19), 196603, 2014	100	2014
Electron-phonon beyond Fröhlich: dynamical quadrupoles in polar and covalent solids G Brunin, HPC Miranda, M Giantomassi, M Royo, M Stengel, ... Physical Review Letters 125 (13), 136601, 2020	93	2020
First-principles calculation of the electronic, dielectric, and dynamical properties of CaF 2 M Verstraete, X Gonze Physical Review B 68 (19), 195123, 2003	91	2003
Density functional perturbation theory with spin-orbit coupling: Phonon band structure of lead MJ Verstraete, M Torrent, F Jollet, G Zérah, X Gonze Physical Review B—Condensed Matter and Materials Physics 78 (4), 045119, 2008	85	2008

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