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), 2016
5672016
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
4432016
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
2402018
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
1692015
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
1612007
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
1512013
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
1342007
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
862011
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
742016
A density functional study of α-Mg(BH4)2
MJ van Setten, GA Wijs, M Fichtner, G Brocks
Chemistry of Materials 20 (15), 4952-4956, 2008
69*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
692007
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
572017
High-throughput density-functional perturbation theory phonons for inorganic materials
G Petretto, S Dwaraknath, HPC Miranda, D Winston, M Giantomassi, ...
Scientific data 5, 180065, 2018
562018
Ab initio study of Mg(AlH4)2
MJ van Setten, GA De Wijs, VA Popa, G Brocks
Physical Review B 72 (7), 073107, 2005
562005
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
522017
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
522016
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
432020
First-principles calculations of the crystal structure, electronic structure, and thermodynamic stability of Be(BH4)2
MJ van Setten, GA de Wijs, G Brocks
Physical Review B 77 (16), 165115, 2008
342008
Binding in alkali and alkaline-earth tetrahydroborates: Special position of magnesium tetrahydroborate
Z Łodziana, MJ van Setten
Physical Review B 81 (2), 024117, 2010
312010
Off-Diagonal Self-Energy Terms and Partially Self-Consistency in GW Calculations for Single Molecules: Efficient Implementation and Quantitative Effects on …
F Kaplan, F Weigend, F Evers, MJ van Setten
Journal of chemical theory and computation 11 (11), 5152-5160, 2015
302015
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