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Michiel J. van Setten
Michiel J. van Setten
principal member of technical staf at IMEC
Verified email at imec.be - Homepage
Title
Cited by
Cited by
Year
Reproducibility in density functional theory calculations of solids
K Lejaeghere, G Bihlmayer, T Björkman, P Blaha, S Blügel, V Blum, ...
Science 351 (6280), aad3000, 2016
1413*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
13612018
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
8212016
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
5292020
GW100: Benchmarking G0W0 for molecular systems
MJ van Setten, F Caruso, S Sharifzadeh, X Ren, M Scheffler, F Liu, ...
Journal of chemical theory and computation 11 (12), 5665-5687, 2015
3642015
The GW-Method for Quantum Chemistry Applications: Theory and Implementation
MJ van Setten, F Weigend, F Evers
Journal of chemical theory and computation 9 (1), 232-246, 2013
2872013
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
2412020
Thermodynamic stability of boron: The role of defects and zero point motion
MJ van Setten, MA Uijttewaal, GA de Wijs, RA de Groot
Journal of the American Chemical Society 129 (9), 2458-2465, 2007
1942007
High-throughput densityfunctional perturbation theory phonons for inorganic materials.
G Petretto, S Dwaraknath, HPC Miranda, D Winston, M Giantomassi, ...
Phys. Rev. LettScientific Data 5, 180065, 2018
1792018
Electronic structure and optical properties of lightweight metal hydrides
MJ van Setten, VA Popa, GA de Wijs, G Brocks
Physical Review B 75 (3), 035204, 2007
1702007
Quasi-Particle Self-Consistent GW for Molecules
F Kaplan, ME Harding, C Seiler, F Weigend, F Evers, MJ van Setten
Journal of chemical theory and computation 12 (6), 2528-2541, 2016
1442016
High-throughput design of non-oxide p-type transparent conducting materials: data mining, search strategy, and identification of boron phosphide
JB Varley, A Miglio, VA Ha, MJ van Setten, GM Rignanese, G Hautier
Chemistry of Materials 29 (6), 2568-2573, 2017
1362017
Benchmark of GW Approaches for the GW100 Test Set
F Caruso, M Dauth, MJ van Setten, P Rinke
Journal of chemical theory and computation 12 (10), 5076-5087, 2016
1332016
Core-level binding energies from GW: An efficient full-frequency approach within a localized basis
D Golze, J Wilhelm, MJ van Setten, P Rinke
Journal of chemical theory and computation 14 (9), 4856-4869, 2018
1122018
LiBH4− Mg(BH4)2: a physical mixture of metal borohydrides as hydrogen storage material
EG Bardají, Z Zhao-Karger, N Boucharat, A Nale, MJ van Setten, ...
The Journal of Physical Chemistry C 115 (13), 6095-6101, 2011
1042011
Capacitor-less, long-retention (> 400s) DRAM cell paving the way towards low-power and high-density monolithic 3D DRAM
A Belmonte, H Oh, N Rassoul, GL Donadio, J Mitard, H Dekkers, ...
2020 IEEE International Electron Devices Meeting (IEDM), 28.2. 1-28.2. 4, 2020
952020
GW100: a plane wave perspective for small molecules
E Maggio, P Liu, MJ van Setten, G Kresse
Journal of chemical theory and computation 13 (2), 635-648, 2017
922017
A density functional study of α-Mg(BH4)2
MJ van Setten, GA de Wijs, M Fichtner, G Brocks
Chemistry of Materials 20 (15), 4952-4956, 2008
78*2008
Ab initio study of the effects of transition metal doping of Mg2NiH4
MJ van Setten, GA De Wijs, G Brocks
Physical Review B 76 (7), 075125, 2007
782007
Automation methodologies and large-scale validation for GW: Towards high-throughput GW calculations
MJ van Setten, M Giantomassi, X Gonze, GM Rignanese, G Hautier
Physical Review B 96 (15), 155207, 2017
682017
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