BŠlint Aradi
BŠlint Aradi
Senior Researcher, BCCMS, University of Bremen
Verified email at uni-bremen.de - Homepage
TitleCited byYear
DFTB+, a sparse matrix-based implementation of the DFTB method
B Aradi, B Hourahine, T Frauenheim
The Journal of Physical Chemistry A 111 (26), 5678-5684, 2007
12112007
Accurate defect levels obtained from the HSE06 range-separated hybrid functional
P DeŠk, B Aradi, T Frauenheim, E Janzťn, A Gali
Physical Review B 81 (15), 153203, 2010
2102010
Band lineup and charge carrier separation in mixed rutile-anatase systems
P DeŠk, B Aradi, T Frauenheim
The Journal of Physical Chemistry C 115 (8), 3443-3446, 2011
1482011
Polaronic effects in TiO 2 calculated by the HSE06 hybrid functional: Dopant passivation by carrier self-trapping
P DeŠk, B Aradi, T Frauenheim
Physical Review B 83 (15), 155207, 2011
1432011
An Improved Self-Consistent-Charge Density-Functional Tight-Binding (SCC-DFTB) Set of Parameters for Simulation of Bulk and Molecular Systems Involving Titanium
G Dolgonos, B Aradi, NH Moreira, T Frauenheim
Journal of Chemical Theory and Computation 6 (1), 266-278, 2009
1422009
Quantitative theory of the oxygen vacancy and carrier self-trapping in bulk TiO 2
P DeŠk, B Aradi, T Frauenheim
Physical Review B 86 (19), 195206, 2012
1352012
Formation of NV centers in diamond: A theoretical study based on calculated transitions and migration of nitrogen and vacancy related defects
P DeŠk, B Aradi, M Kaviani, T Frauenheim, A Gali
Physical Review B 89 (7), 075203, 2014
1122014
Formation of NV centers in diamond: A theoretical study based on calculated transitions and migration of nitrogen and vacancy related defects
P DeŠk, B Aradi, M Kaviani, T Frauenheim, A Gali
Physical Review B 89 (7), 075203, 2014
1122014
Ab initio density-functional supercell calculations of hydrogen defects in cubic SiC
B Aradi, A Gali, P DeŠk, JE Lowther, NT Son, E Janzťn, WJ Choyke
Physical Review B 63 (24), 245202, 2001
1122001
Toward an accurate density-functional tight-binding description of zinc-containing compounds
NH Moreira, G Dolgonos, B Aradi, AL da Rosa, T Frauenheim
Journal of Chemical Theory and Computation 5 (3), 605-614, 2009
952009
The self-consistent charge density functional tight binding method applied to liquid water and the hydrated excess proton: benchmark simulations
CM Maupin, B Aradi, GA Voth
The Journal of Physical Chemistry B 114 (20), 6922-6931, 2010
692010
Theoretical study of the chemical gap tuning in silicon nanowires
B Aradi, LE Ramos, P DeŠk, T KŲhler, F Bechstedt, RQ Zhang, ...
Physical Review B 76 (3), 035305, 2007
692007
Proper surface termination for luminescent near-surface nv centers in diamond
M Kaviani, P Deák, B Aradi, T Frauenheim, JP Chou, A Gali
Nano letters 14 (8), 4772-4777, 2014
682014
Choosing the correct hybrid for defect calculations: A case study on intrinsic carrier trapping in
P DeŠk, QD Ho, F Seemann, B Aradi, M Lorke, T Frauenheim
Physical Review B 95 (7), 075208, 2017
672017
Charge corrections for supercell calculations of defects in semiconductors
U Gerstmann, P DeŠk, R Rurali, B Aradi, T Frauenheim, H Overhof
Physica B: Condensed Matter 340, 190-194, 2003
582003
Accurate single-particle determination of the band gap in silicon nanowires
R Rurali, B Aradi, T Frauenheim, A Gali
Physical Review B 76 (11), 113303, 2007
502007
Nonadiabatic Molecular Dynamics for Thousand Atom Systems: A Tight-Binding Approach toward PYXAID
S Pal, DJ Trivedi, AV Akimov, B Aradi, T Frauenheim, OV Prezhdo
Journal of chemical theory and computation 12 (4), 1436-1448, 2016
482016
Calculation of carrier-concentration-dependent effective mass in Nb-doped anatase crystals of TiO 2
HA Huy, B Aradi, T Frauenheim, P DeŠk
Physical Review B 83 (15), 155201, 2011
442011
Oxygen deficiency in Ti O 2: Similarities and differences between the Ti self-interstitial and the O vacancy in bulk rutile and anatase
P DeŠk, B Aradi, T Frauenheim
Physical Review B 92 (4), 045204, 2015
412015
Parametrization of the SCC-DFTB Method for Halogens
T Kubař, Z Bodrog, M Gaus, C Köhler, B Aradi, T Frauenheim, ...
Journal of Chemical Theory and Computation 9 (7), 2939-2949, 2013
392013
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