Matthieu Verstraete
Matthieu Verstraete
Professor of Physics, University of Liege, Belgium
E-mail megerősítve itt: - Kezdőlap
Hivatkozott rá
Hivatkozott rá
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
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
A brief introduction to the ABINIT software package
X Gonze
Zeitschrift für Kristallographie-Crystalline Materials 220 (5-6), 558-562, 2005
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
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
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
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
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
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
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), 102813, 2015
Thermal conductivity in PbTe from first principles
AH Romero, EKU Gross, MJ Verstraete, O Hellman
Physical Review B 91 (21), 214310, 2015
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
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
First-principles calculation of the electronic, dielectric, and dynamical properties of CaF 2
M Verstraete, X Gonze
Physical Review B 68 (19), 195123, 2003
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
First principles explanation of the positive seebeck coefficient of lithium
B Xu, MJ Verstraete
Physical review letters 112 (19), 196603, 2014
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 78 (4), 045119, 2008
Thermopower in oxide heterostructures: The importance of being multiple-band conductors
A Filippetti, P Delugas, MJ Verstraete, I Pallecchi, A Gadaleta, D Marré, ...
Physical Review B 86 (19), 195301, 2012
Electronic properties of the Mg2Si thermoelectric material investigated by linear-response density-functional theory
P Boulet, MJ Verstraete, JP Crocombette, M Briki, MC Record
Computational Materials Science 50 (3), 847-851, 2011
Doping-induced dimensional crossover and thermopower burst in Nb-doped SrTiO superlattices
P Delugas, A Filippetti, MJ Verstraete, I Pallecchi, D Marré, V Fiorentini
Physical Review B 88 (4), 045310, 2013
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