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Dmitrii Nabok
Dmitrii Nabok
Post-Doctoral Researcher, Jülich Supercomputer Center, Institute for Advanced Simulation (IAS)
Verified email at fz-juelich.de
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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
3802014
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
2442009
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
1972007
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
1822007
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
1262009
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
1182012
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
1142016
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
1092008
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
952016
Organic/Inorganic Hybrid Materials: Challenges for ab Initio Methodology
C Draxl, D Nabok, K Hannewald
Accounts of chemical research 47 (11), 3225-3232, 2014
902014
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
762011
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
732011
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
692016
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
542017
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
512011
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
502016
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
412019
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
362018
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
292017
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
282011
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