دنبال کردن
Michiel J. van Setten
Michiel J. van Setten
principal member of technical staf at IMEC
ایمیل تأیید شده در imec.be - صفحهٔ اصلی
عنوان
نقل شده توسط
نقل شده توسط
سال
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
16422018
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
1545*2016
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
8762016
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
6402020
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
3972015
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
3082013
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), 124102, 2020‏
2862020
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
2022007
High-throughput densityfunctional perturbation theory phonons for inorganic materials.‏
G Petretto, S Dwaraknath, HPC Miranda, D Winston, M Giantomassi, ...‏
Scientific Data 5, 180065, 2018‏
1942018
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
1792007
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
1542016
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
1462016
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
1432017
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
1292020
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
1212018
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
1082011
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
992017
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
822007
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
80*2008
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
772017
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مقاله‌ها 1–20