Exciting: a full-potential all-electron package implementing density-functional theory and many-body perturbation theory A Gulans, S Kontur, C Meisenbichler, D Nabok, P Pavone, S Rigamonti, ...
Journal of Physics: Condensed Matter 26 (36), 363202, 2014
382 2014 Theoretical study of PTCDA adsorbed on the coinage metal surfaces, Ag (111), Au (111) and Cu (111) L Romaner, D Nabok, P Puschnig, E Zojer, C Ambrosch-Draxl
New Journal of Physics 11 (5), 053010, 2009
245 2009 Importance of van der Waals interaction for organic molecule-metal junctions: Adsorption of thiophene on Cu (110) as a prototype P Sony, P Puschnig, D Nabok, C Ambrosch-Draxl
Physical review letters 99 (17), 176401, 2007
198 2007 Crystal and electronic structures of pentacene thin films from grazing-incidence x-ray diffraction and first-principles calculations D Nabok, P Puschnig, C Ambrosch-Draxl, O Werzer, R Resel, ...
Physical Review B 76 (23), 235322, 2007
182 2007 The role of polymorphism in organic thin films: oligoacenes investigated from first principles C Ambrosch-Draxl, D Nabok, P Puschnig, C Meisenbichler
New Journal of Physics 11 (12), 125010, 2009
126 2009 Epitaxial growth of π-stacked perfluoropentacene on graphene-coated quartz I Salzmann, A Moser, M Oehzelt, T Breuer, X Feng, ZY Juang, D Nabok, ...
ACS nano 6 (12), 10874-10883, 2012
118 2012 Switchable electric polarization and ferroelectric domains in a metal-organic-framework P Jain, A Stroppa, D Nabok, A Marino, A Rubano, D Paparo, M Matsubara, ...
npj Quantum Materials 1 (1), 1-6, 2016
114 2016 Cohesive and surface energies of -conjugated organic molecular crystals: A first-principles study D Nabok, P Puschnig, C Ambrosch-Draxl
Physical Review B 77 (24), 245316, 2008
109 2008 Accurate all-electron quasiparticle energies employing the full-potential augmented plane-wave method D Nabok, A Gulans, C Draxl
Physical Review B 94 (3), 035118, 2016
96 2016 Organic/Inorganic Hybrid Materials: Challenges for ab Initio Methodology C Draxl, D Nabok, K Hannewald
Accounts of chemical research 47 (11), 3225-3232, 2014
90 2014 Initial stages of a para -hexaphenyl film growth on amorphous mica T Potocar, S Lorbek, D Nabok, Q Shen, L Tumbek, G Hlawacek, ...
Physical Review B 83 (7), 075423, 2011
76 2011 Epitaxy of Rodlike Organic Molecules on Sheet Silicates A Growth Model Based on Experiments and Simulations C Simbrunner, D Nabok, G Hernandez-Sosa, M Oehzelt, T Djuric, R Resel, ...
Journal of the American Chemical Society 133 (9), 3056-3062, 2011
73 2011 Reproducibility in density functional theory calculations of solids MIJ Probert, PJ Hasnip, K Lejaeghere, G Bihlmayer, T Bjorkman, P Blaha, ...
Science 351 (6280), aad3000, 2016
70 2016 Electric-magneto-optical Kerr effect in a hybrid organic–inorganic perovskite FR Fan, H Wu, D Nabok, S Hu, W Ren, C Draxl, A Stroppa
Journal of the American Chemical Society 139 (37), 12883-12886, 2017
54 2017 Structure solution of the 6, 13-pentacenequinone surface-induced polymorph by combining X-ray diffraction reciprocal-space mapping and theoretical structure modeling I Salzmann, D Nabok, M Oehzelt, S Duhm, A Moser, G Heimel, ...
Crystal growth & design 11 (2), 600-606, 2011
51 2011 Atomic signatures of local environment from core-level spectroscopy in C Cocchi, H Zschiesche, D Nabok, A Mogilatenko, M Albrecht, Z Galazka, ...
Physical Review B 94 (7), 075147, 2016
50 2016 State-of-matter-dependent charge-transfer interactions between planar molecules for doping applications P Beyer, D Pham, C Peter, N Koch, E Meister, W Brütting, L Grubert, ...
Chemistry of Materials 31 (4), 1237-1249, 2019
41 2019 Dimensionality of excitons in stacked van der Waals materials: The example of hexagonal boron nitride W Aggoune, C Cocchi, D Nabok, K Rezouali, MA Belkhir, C Draxl
Physical Review B 97 (24), 241114, 2018
36 2018 Enhanced light–matter interaction in graphene/h-bn van der waals heterostructures W Aggoune, C Cocchi, D Nabok, K Rezouali, M Akli Belkhir, C Draxl
The Journal of Physical Chemistry Letters 8 (7), 1464-1471, 2017
29 2017 noloco: An efficient implementation of van der Waals density functionals based on a Monte-Carlo integration technique D Nabok, P Puschnig, C Ambrosch-Draxl
Computer physics communications 182 (8), 1657-1662, 2011
28 2011