Bálint Aradi

Dikutip oleh

	Semua	Sejak 2020
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indeks-h	39	28
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Thomas FrauenheimProfessor für Computational Materials ScienceEmail yang diverifikasi di bccms.uni-bremen.de
Peter DeakProfessor of Physics, University of BremenEmail yang diverifikasi di uni-bremen.de
Gali ÁdámWigner Research Centre for Physics, Hungarian Academy of SciencesEmail yang diverifikasi di wigner.mta.hu
Ben HourahineSenior Lecturer in photonic materials, University of StrathclydeEmail yang diverifikasi di strath.ac.uk
Thomas NiehausInstitut Lumière Matière, Université Claude Bernard Lyon 1Email yang diverifikasi di univ-lyon1.fr
Nguyen Tien Sonprofessor i semiconductor physics, Linköping UniversityEmail yang diverifikasi di ifm.liu.se
Michael LorkePostDoc, University of Duisburg-EssenEmail yang diverifikasi di uni-bremen.de
Huynh Anh HuyDepartment of Physics, School of Education, Can Tho UniversityEmail yang diverifikasi di ctu.edu.vn
Ney Henrique MoreiraProf. Dr. rer Nat.Email yang diverifikasi di hm.edu
Franco P. BonaféMax Planck Institute for the Structure and Dynamics of MatterEmail yang diverifikasi di mpsd.mpg.de
Riccardo RuraliEmail yang diverifikasi di icmab.es
Stephan IrleOak Ridge National LaboratoryEmail yang diverifikasi di ornl.gov
Gabriele PenazziR&D EngineerEmail yang diverifikasi di synopsys.com
Stanislav MarkovThe University of Hong KongEmail yang diverifikasi di stanmarkov.com
Adriel Dominguez GarciaUniversity of BremenEmail yang diverifikasi di bccms.uni-bremen.de
Zoltán BodrogHAS Wigner Research Centre for PhysicsEmail yang diverifikasi di wigner.mta.hu
ChiYung YamUniversity of Electronic Science and Technology of ChinaEmail yang diverifikasi di uestc.edu.cn
Alessandro PecchiaCNR-ISMNEmail yang diverifikasi di ismn.cnr.it
Simone SannaProfessor für Theoretische Physik, Justus-Liebig-Universität GießenEmail yang diverifikasi di theo.physik.uni-giessen.de
Andreia Luisa da RosaProfessor de Física, Universidade Federal de GoiasEmail yang diverifikasi di ufg.br

Ikuti

Bálint Aradi

Senior Researcher, BCCMS, University of Bremen

Email yang diverifikasi di uni-bremen.de - Beranda

atomistic simulations DFT DFTB electronic structure


Judul Urutkan menurut kutipan Urutkan menurut tahun Urutkan menurut judul	Dikutip oleh Dikutip oleh	Tahun
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	1948	2007
DFTB+, a software package for efficient approximate density functional theory based atomistic simulations B Hourahine, B Aradi, V Blum, F Bonafé, A Buccheri, C Camacho, ... The Journal of Chemical Physics 152 (12), 124101, 2020	969	2020
Accurate defect levels obtained from the HSE06 range-separated hybrid functional P Deák, B Aradi, T Frauenheim, E Janzén, A Gali Physical Review B—Condensed Matter and Materials Physics 81 (15), 153203, 2010	413	2010
Formation of NV centers in diamond: A theoretical study based on calculated transitions and migration of nitrogen and vacancy related defects P Deák, B Aradi, M Kaviani, T Frauenheim, A Gali Physical Review B 89 (7), 075203, 2014	285	2014
Formation of NV centers in diamond: A theoretical study based on calculated transitions and migration of nitrogen and vacancy related defects P Deák, B Aradi, M Kaviani, T Frauenheim, A Gali Physical Review B 89 (7), 075203, 2014	285	2014
Choosing the correct hybrid for defect calculations: A case study on intrinsic carrier trapping in P Deák, Q Duy Ho, F Seemann, B Aradi, M Lorke, T Frauenheim Physical Review B 95 (7), 075208, 2017	265	2017
Polaronic effects in TiO calculated by the HSE06 hybrid functional: Dopant passivation by carrier self-trapping P Deák, B Aradi, T Frauenheim Physical Review B—Condensed Matter and Materials Physics 83 (15), 155207, 2011	230	2011
Quantitative theory of the oxygen vacancy and carrier self-trapping in bulk TiO P Deák, B Aradi, T Frauenheim Physical Review B—Condensed Matter and Materials Physics 86 (19), 195206, 2012	224	2012
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	222	2009
Band lineup and charge carrier separation in mixed rutile-anatase systems P Deák, B Aradi, T Frauenheim The Journal of Physical Chemistry C 115 (8), 3443-3446, 2011	219	2011
DFT exchange: sharing perspectives on the workhorse of quantum chemistry and materials science AM Teale, T Helgaker, A Savin, C Adamo, B Aradi, AV Arbuznikov, ... Physical Chemistry Chemical Physics 24 (47), 28700-28781, 2022	186	2022
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	177	2014
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	145	2009
Ab initio density-functional supercell calculations of hydrogen defects in cubic SiC B Aradi, A Gali, P Deák, JE Lowther, NT Son, E Janzén, WJ Choyke Physical Review B 63 (24), 245202, 2001	126	2001
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	123	2016
SCC‐DFTB parameters for simulating hybrid gold‐thiolates compounds A Fihey, C Hettich, J Touzeau, F Maurel, A Perrier, C Köhler, B Aradi, ... Journal of computational chemistry 36 (27), 2075-2087, 2015	115	2015
Time-dependent extension of the long-range corrected density functional based tight-binding method JJ Kranz, M Elstner, B Aradi, T Frauenheim, V Lutsker, AD Garcia, ... Journal of Chemical Theory and Computation 13 (4), 1737-1747, 2017	94	2017
Implementation and benchmark of a long-range corrected functional in the density functional based tight-binding method V Lutsker, B Aradi, TA Niehaus The Journal of chemical physics 143 (18), 184107, 2015	90	2015
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	87	2010
Water splitting and the band edge positions of TiO2 P Deák, J Kullgren, B Aradi, T Frauenheim, L Kavan Electrochimica Acta 199, 27-34, 2016	84	2016

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