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Density-Functional Tight-Binding (DFTB) as fast approximate DFT metho…
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LinkedIn SlideShare · Upload · Login Frauenheim, Balint Aradi) and is the successor of the old Paderborn DFTB and Dylax codes. Free for ...
Bálint Aradi - Academia.edu
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An Improved Self-Consistent-Charge Density-Functional Tight ...ACS Publications
pubs.acs.org
von G Dolgonos · · Zitiert von: 210 — Fried, Bálint Aradi, Kiel Holliday, Jason R. Jeffries, Brandon C. Wood. Semi-Automated Creation of Density Functional Tight Binding Models ... von G Dolgonos · · Zitiert von: 210 — Fried, Bálint Aradi, Kiel Holliday, Jason R. Jeffries, Brandon C. Wood. Semi-Automated Creation of Density Functional Tight Binding Models ...
A real-time time-dependent density functional tight-binding ...arXiv
arxiv.org
von FP Bonafé · · Zitiert von: 53 — Bonafé, Bálint Aradi, Ben Hourahine, Carlos R. Medrano, Federico J. Hernández, Thomas Frauenheim, Cristián G. Sánchez. Download a PDF of the ... von FP Bonafé · · Zitiert von: 53 — Bonafé, Bálint Aradi, Ben Hourahine, Carlos R. Medrano, Federico J. Hernández, Thomas Frauenheim, Cristián G. Sánchez. Download a PDF of the ...
[PDF] Molecular Electronic Devices (MED) based on...
datospdf.com
Molecular Electronic Devices (MED) based on oligo-para-phenylenes (OPP) Molecules. Setianto a,b,c), Balint Aradi b) and Th. Frauenheim b), T.A. Niehaus c).
Obtaining Electronic Properties of ACS PublicationsAmerican Chemical Society
pubs.acs.org
von G Fan — through Combining Density Functional Tight. Binding with Machine Learning. Guozheng Fan,. ∗. ,. †. Adam McSloy,. †. Bálint Aradi,.
Hybrid functionals for periodic systems in the density ...arXiv
arxiv.org
von T van der Heide · — Hybrid functionals for periodic systems in the density functional tight-binding method. Authors:Tammo van der Heide, Bálint Aradi, Ben Hourahine ...
Development of a Multicenter Density Functional Tight Binding ...
pubs.acs.org
von N Goldman · · Zitiert von: 26 — Development of a Multicenter Density Functional Tight Binding Model for Plutonium Surface Hydriding · Bálint Aradi. Bálint Aradi. Bremen Center ... › doi › abs
Fortnet, a software package for training Behler-Parrinello ...
arxiv.org
von T van der Heide · · Zitiert von: 1 — Authors:Tammo van der Heide, Jolla Kullgren, Peter Broqvist, Vladimir Bačić, Thomas Frauenheim, Bálint Aradi · Download PDF. › physics
[ ] Calculation ofthe transitions and migration of nitrogen...
arxiv.org
Authors:Peter Deák, Bálint Aradi, Moloud Kaviani, Thomas Frauenheim, Adam Gali. (Submitted on 26 Nov 2013). Abstract: Formation and ...
Accelerating the density-functional tight-binding method ...AIP.ORG
pubs.aip.org
von VQ Vuong · · Zitiert von: 6 — Bálint Aradi. ORCID logo X. ;. Bálint Aradi. (Methodology, Software, Writing – review & editing). 4. Bremen Center for ... von VQ Vuong · · Zitiert von: 6 — Bálint Aradi. ORCID logo X. ;. Bálint Aradi. (Methodology, Software, Writing – review & editing). 4. Bremen Center for ...
APS -APS March Meeting Session Index MAR17
meetings.aps.org
Traian Dumitrica , Ben Hourahine , Balint Aradi , Thomas Frauenheim. We discus the coupling of the objective boundary conditions [1] into the SCC density ...
Phonon-induced band gap renormalization by dielectric ...arXiv
arxiv.org
von T van der Heide · — Authors:Tammo van der Heide, Ben Hourahine, Bálint Aradi, Thomas Frauenheim, Thomas A. Niehaus. Download a PDF of the paper titled Phonon ... von T van der Heide · — Authors:Tammo van der Heide, Ben Hourahine, Bálint Aradi, Thomas Frauenheim, Thomas A. Niehaus. Download a PDF of the paper titled Phonon ...
Phys. Rev. B 81, (2010) - Accurate defect levels obtained...
journals.aps.org
Peter Deák, Bálint Aradi, Thomas Frauenheim, Erik Janzén, and Adam Gali. Phys. Rev. B 81, – Published 12 April More. ×. Article · References ...
Phys. Rev. B 99, (2019) - Carbon in GaN: Calculations with...
journals.aps.org
Carbon in GaN: Calculations with an optimized hybrid functional. Peter Deák, Michael Lorke, Bálint Aradi, and Thomas Frauenheim. Phys. Rev.
Semi-Automated Creation of Density Functional Tight ...arXiv
arxiv.org
von N Goldman · · Zitiert von: 20 — Fried, Bálint Aradi, Kiel Holliday, Jason R. Jeffries, Brandon C. Wood. Download a PDF of the paper titled Semi-Automated Creation of Density ... von N Goldman · · Zitiert von: 20 — Fried, Bálint Aradi, Kiel Holliday, Jason R. Jeffries, Brandon C. Wood. Download a PDF of the paper titled Semi-Automated Creation of Density ...
Phys. Rev. B 100, (2019) - Defect calculations with hybrid...
journals.aps.org
Peter Deák, Elham Khorasani, Michael Lorke, Meisam Farzalipour-Tabriz, Bálint Aradi, and Thomas Frauenheim. Phys. Rev. B 100,
arXivhttps://arxiv.org › physics.chem-phChemical Physics authors/titles Aug 2023
arxiv.org
... Bálint Aradi, Reinhard J. Maurer, Alexandre Tkatchenko. Comments: 14 pages, 6 figures, submitted to JCP. Subjects: Chemical Physics (physics.chem-ph) ...
arXivhttps://arxiv.org › physicslibMBD: A general-purpose package for scalable quantum many-body ...
arxiv.org
von J Hermann · · Zitiert von: 2 — ... Bálint Aradi, Reinhard J. Maurer, Alexandre Tkatchenko. Download a PDF of the paper titled libMBD: A general-purpose package for scalable ...
Phys. Rev. B 90, (2014) - Charge-doping-induced phase...
journals.aps.org
Tim O. Wehling, Bernhard Grundkötter-Stock, Bálint Aradi, Thomas Frauenheim, and Thomas Niehaus. Phys. Rev. B 90, – Published ...
Phys. Rev. B 89, (2014) - Formation of NV centers in diamond:...
journals.aps.org
Rev. B 89, (2014)]. Peter Deák, Bálint Aradi, Moloud Kaviani, Thomas Frauenheim, and Adam Gali. Phys. Rev. B 89, (2014).
URN-NBN -- Long Term Identification of Electronic Documents
nws.niif.hu
URN-NBN -- Long Term Identification of Electronic Documents. Péter Ittzés, Bálint Aradi, Ádám Horváth. National Széchényi Library. The Universal Resource ...
Verwandte Suchanfragen zu Bálint Aradi
| Sebastian Ehlert Peter Deák Christof Köhler | Stephan Irle Michael Lorke Adam Gali | Marcus Elstner Adam McSloy Gabriele Penazzi |
Personen Vorname "Bálint" (100) Name "Aradi" (19) |
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