Bálint Aradi (B Aradi)

Publication Activity (10 Years)

Years Active: 2020-2023
Publications (10 Years): 11

Top Topics

Perovskite Solar Cells

Machine Learning

Carbon Nanotubes

Top Venues

Journal of chemical theory and computation

The Journal of chemical physics

Physical chemistry chemical physics : PCCP

The journal of physical chemistry letters

This page only lists publications with an associated author ORCID identifier.

Publications

Van Quan Vuong, Caterina Cevallos, Ben Hourahine, Bálint Aradi, Jacek Jakowski, Stephan Irle, Cristopher Camacho
Accelerating the density-functional tight-binding method using graphical processing units. The Journal of chemical physics 158 (8) (2023)
Wenbo Sun, Guozheng Fan, Tammo van der Heide, Adam McSloy, Thomas Frauenheim, Bálint Aradi
Machine Learning Enhanced DFTB Method for Periodic Systems: Learning from Electronic Density of States. Journal of chemical theory and computation (2023)
Van Quan Vuong, Bálint Aradi, Anders M N Niklasson, Qiang Cui, Stephan Irle
Multipole Expansion of Atomic Electron Density Fluctuation Interactions in the Density-Functional Tight-Binding Method. Journal of chemical theory and computation (2023)
A McSloy, Guozheng Fan, Wenbo Sun, Christian Hölzer, Marvin Friede, Sebastian Ehlert, N-E Schütte, Stefan Grimme, T Frauenheim, Bálint Aradi
TBMaLT, a flexible toolkit for combining tight-binding and machine learning. The Journal of chemical physics 158 (3) (2023)
A McSloy, Guozheng Fan, Wenbo Sun, Christian Hölzer, Marvin Friede, Sebastian Ehlert, N-E Schütte, Stefan Grimme, T Frauenheim, Bálint Aradi
TBMaLT, a flexible toolkit for combining tight-binding and machine learning. The Journal of chemical physics 158 (3) (2023)
Matías Berdakin, Germán J Soldano, Franco P Bonafé, Varlamova Liubov, Bálint Aradi, Thomas Frauenheim, Cristián Gabriel Sánchez
Dynamical evolution of the Schottky barrier as a determinant contribution to electron-hole pair stabilization and photocatalysis of plasmon-induced hot carriers. Nanoscale 14 (7) (2022)
Andrew M Wibowo-Teale, Trygve Helgaker, Andreas Savin, Carlo Adamo, Bálint Aradi, Alexei V Arbuznikov, Paul W Ayers, Evert Jan Baerends, Vincenzo Barone, Patrizia Calaminici, Eric Cancès, Emily A Carter, Pratim Kumar Chattaraj, Henry Chermette, Ilaria Ciofini, T Daniel Crawford, Frank de Proft, John F Dobson, Claudia Draxl, Thomas Frauenheim, Emmanuel Fromager, Patricio Fuentealba, Soumen Ghosh, Giulia Galli, Jiali Gao, Paul Geerlings, Nikitas I Gidopoulos, Peter M W Gill, Paola Gori-Giorgi, Andreas Görling, Timothy Gould, Stefan Grimme, Oleg V Gritsenko, Hans Jørgen Aagaard Jensen, Erin R Johnson, Robert O Jones, Martin Kaupp, Andreas M Köster, Leeor Kronik, Anna I Krylov, Simen Kvaal, Andre Laestadius, Mel Levy, Mathieu Lewin, Shubin Liu, Pierre-François Loos, Neepa T Maitra, Frank Neese, John P Perdew, Katarzyna Pernal, Pascal Pernot, Piotr Piecuch, Elisa Rebolini, Lucia Reining, Pina Romaniello, Adrienn Ruzsinszky, Dennis R Salahub, Matthias Scheffler, Peter Schwerdtfeger, Viktor N Staroverov, Jianwei Sun, Erik I Tellgren, David J Tozer, Samuel B Trickey, Carsten A Ullrich, Alberto Vela, Giovanni Vignale, Tomasz Adam Wesołowski, Xin Xu, Weitao Yang
DFT exchange: sharing perspectives on the workhorse of quantum chemistry and materials science. Physical chemistry chemical physics : PCCP 24 (47) (2022)
Guozheng Fan, Adam McSloy, Bálint Aradi, Chi-Yung Yam, Thomas Frauenheim
Obtaining Electronic Properties of Molecules through Combining Density Functional Tight Binding with Machine Learning. The journal of physical chemistry letters 13 (43) (2022)
Nir Goldman, Kyoung E Kweon, Babak Sadigh, Tae Wook Heo, Rebecca K Lindsey, C Huy Pham, Laurence E Fried, Bálint Aradi, Kiel Holliday, Jason R Jeffries, Brandon C Wood
Semi-Automated Creation of Density Functional Tight Binding Models through Leveraging Chebyshev Polynomial-Based Force Fields. Journal of chemical theory and computation 17 (7) (2021)
Verena Kristin Gupta, Bálint Aradi, Kyoung E Kweon, Nathan Keilbart, Nir Goldman, Thomas Frauenheim, Jolla Kullgren
Using DFTB to Model Photocatalytic Anatase-Rutile TiO2 Nanocrystalline Interfaces and Their Band Alignment. Journal of chemical theory and computation 17 (8) (2021)
Van Quan Vuong, Jenica Marie L Madridejos, Bálint Aradi, Bobby G Sumpter, Gregory F Metha, Stephan Irle
Density-functional tight-binding for phosphine-stabilized nanoscale gold clusters. Chemical science 11 (48) (2020)