Artykuły udostępnione publicznie: - Stefan GoedeckerWięcej informacji
Niedostępne w żadnym miejscu: 8
General-purpose machine learning potentials capturing nonlocal charge transfer
TW Ko, JA Finkler, S Goedecker, J Behler
Accounts of Chemical Research 54 (4), 808-817, 2021
Upoważnienia: Swiss National Science Foundation, German Research Foundation
Soft-sphere continuum solvation in electronic-structure calculations
G Fisicaro, L Genovese, O Andreussi, S Mandal, NN Nair, N Marzari, ...
Journal of chemical theory and computation 13 (8), 3829-3845, 2017
Upoważnienia: Swiss National Science Foundation, European Commission
Structure of large gold clusters obtained by global optimization using the minima hopping method
K Bao, S Goedecker, K Koga, F Lançon, A Neelov
Physical Review B—Condensed Matter and Materials Physics 79 (4), 041405, 2009
Upoważnienia: Swiss National Science Foundation
Organometallic Bonding in an Ullmann‐Type On‐Surface Chemical Reaction Studied by High‐Resolution Atomic Force Microscopy
S Kawai, A Sadeghi, T Okamoto, C Mitsui, R Pawlak, T Meier, J Takeya, ...
Small 12 (38), 5303-5311, 2016
Upoważnienia: Swiss National Science Foundation, European Commission
Atomic friction: Anisotropy and asymmetry effects
G Fessler, A Sadeghi, T Glatzel, S Goedecker, E Meyer
Tribology Letters 67, 1-10, 2019
Upoważnienia: Swiss National Science Foundation
Computational Screening of Useful Hole–Electron Dopants in SnO2
M Grauzinyte, S Goedecker, JA Flores-Livas
Chemistry of Materials 29 (23), 10095-10103, 2017
Upoważnienia: Swiss National Science Foundation
Density functional investigations on structural and electronic properties of anionic and neutral sodium clusters NaN (N= 40–147): comparison with the experimental photoelectron …
SM Ghazi, S De, DG Kanhere, S Goedecker
Journal of Physics: Condensed Matter 23 (40), 405303, 2011
Upoważnienia: Swiss National Science Foundation
Divalent path to enhance p-type conductivity in a SnO transparent semiconductor
M Graužinytė, D Tomerini, S Goedecker, JA Flores-Livas
The Journal of Physical Chemistry C 123 (24), 14909-14913, 2019
Upoważnienia: Swiss National Science Foundation
Dostępne w jakimś miejscu: 102
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
Upoważnienia: US National Science Foundation, US Department of Energy, Swiss National …
A fourth-generation high-dimensional neural network potential with accurate electrostatics including non-local charge transfer
TW Ko, JA Finkler, S Goedecker, J Behler
Nature communications 12 (1), 398, 2021
Upoważnienia: Swiss National Science Foundation, German Research Foundation
Daubechies wavelets as a basis set for density functional pseudopotential calculations
L Genovese, A Neelov, S Goedecker, T Deutsch, SA Ghasemi, A Willand, ...
The Journal of chemical physics 129 (1), 2008
Upoważnienia: Swiss National Science Foundation
Crystal structure of cold compressed graphite
M Amsler, JA Flores-Livas, L Lehtovaara, F Balima, SA Ghasemi, ...
Physical review letters 108 (6), 065501, 2012
Upoważnienia: Swiss National Science Foundation
Crystal structure prediction using the minima hopping method
M Amsler, S Goedecker
The Journal of chemical physics 133 (22), 2010
Upoważnienia: Swiss National Science Foundation
Interatomic potentials for ionic systems with density functional accuracy based on charge densities obtained by a neural network
SA Ghasemi, A Hofstetter, S Saha, S Goedecker
Physical review B 92 (4), 045131, 2015
Upoważnienia: Swiss National Science Foundation
Ultralow thermal conductivity in full Heusler semiconductors
J He, M Amsler, Y Xia, SS Naghavi, VI Hegde, S Hao, S Goedecker, ...
Physical review letters 117 (4), 046602, 2016
Upoważnienia: US National Science Foundation, US Department of Energy, Swiss National …
Energy landscape of fullerene materials: a comparison of boron to boron nitride and carbon
S De, A Willand, M Amsler, P Pochet, L Genovese, S Goedecker
Physical review letters 106 (22), 225502, 2011
Upoważnienia: Swiss National Science Foundation
Low-energy silicon allotropes with strong absorption in the visible for photovoltaic applications
S Botti, JA Flores-Livas, M Amsler, S Goedecker, MAL Marques
Physical Review B—Condensed Matter and Materials Physics 86 (12), 121204, 2012
Upoważnienia: Swiss National Science Foundation
Metrics for measuring distances in configuration spaces
A Sadeghi, SA Ghasemi, B Schaefer, S Mohr, MA Lill, S Goedecker
The Journal of chemical physics 139 (18), 2013
Upoważnienia: Swiss National Science Foundation
A fingerprint based metric for measuring similarities of crystalline structures
L Zhu, M Amsler, T Fuhrer, B Schaefer, S Faraji, S Rostami, SA Ghasemi, ...
The Journal of chemical physics 144 (3), 2016
Upoważnienia: US Department of Energy, Swiss National Science Foundation
Superconductivity in metastable phases of phosphorus-hydride compounds under high pressure
JA Flores-Livas, M Amsler, C Heil, A Sanna, L Boeri, G Profeta, ...
Physical Review B 93 (2), 020508, 2016
Upoważnienia: US Department of Energy, Swiss National Science Foundation, Austrian Science …
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