Bálint Aradi
Universität Bremen
H-index: 38
Europe-Germany
Top articles of Bálint Aradi
Title | Journal | Author(s) | Publication Date |
|---|---|---|---|
Phonon-induced band gap renormalization by dielectric dependent global hybrid density functional tight-binding | Tammo van der Heide Ben Hourahine Bálint Aradi Thomas Frauenheim Thomas A Niehaus | 2024/3/21 | |
Free energy curves for the Volmer reaction obtained from molecular dynamics simulation based on quantum chemistry | Journal of Electroanalytical Chemistry | Elizabeth Santos Bálint Aradi Tammo van der Heide Wolfgang Schmickler | 2024/2/1 |
TBMaLT, a flexible toolkit for combining tight-binding and machine learning | The Journal of Chemical Physics | Adam McSloy G Fan W Sun C Hölzer M Friede | 2023/1/21 |
Effect of Orientational Isomerism in Neutral Water Hexamers on Their Thermodynamic Properties and Concentrations in the Gas Phase | Journal of Cluster Science | Ekaterina A Shirokova Alexey G Razuvaev Alexey V Mayorov Bálint Aradi Thomas Frauenheim | 2023/7 |
Machine Learning Enhanced DFTB Method for Periodic Systems: Learning from Electronic Density of States | Journal of Chemical Theory and Computation | Wenbo Sun Guozheng Fan Tammo van der Heide Adam McSloy Thomas Frauenheim | 2023/6/23 |
Hybrid functionals for periodic systems in the density functional tight-binding method | Physical Review Materials | Tammo van der Heide Bálint Aradi Ben Hourahine Thomas Frauenheim Thomas A Niehaus | 2023/6/6 |
libMBD: A general-purpose package for scalable quantum many-body dispersion calculations | The Journal of Chemical Physics | Jan Hermann Martin Stöhr Szabolcs Góger Shayantan Chaudhuri Bálint Aradi | 2023/11/7 |
Fortnet, a software package for training Behler-Parrinello neural networks | Computer Physics Communications | Tammo van der Heide Jolla Kullgren Peter Broqvist Vladimir Bačić Thomas Frauenheim | 2023/3/1 |
Multipole Expansion of Atomic Electron Density Fluctuation Interactions in the Density-Functional Tight-Binding Method | Journal of Chemical Theory and Computation | Van-Quan Vuong Bálint Aradi Anders MN Niklasson Qiang Cui Stephan Irle | 2023/10/27 |
Accelerating the density-functional tight-binding method using graphical processing units | The Journal of Chemical Physics | Van-Quan Vuong Caterina Cevallos Ben Hourahine Bálint Aradi Jacek Jakowski | 2023/2/28 |
Why DFT‐Based Tight Binding Gives a Better Representation of the Potential at Metal‐Solution Interfaces than DFT Does | ChemElectroChem | Paola Quaino José Luis Nuñez Bálint Aradi Tammo van Der Heide Elizabeth Santos | 2023/10/16 |
Dynamical evolution of the Schottky barrier as a determinant contribution to electron–hole pair stabilization and photocatalysis of plasmon-induced hot carriers | Nanoscale | Matias Berdakin German Soldano Franco P Bonafé Varlamova Liubov Bálint Aradi | 2022 |
Obtaining Electronic Properties of Molecules through Combining Density Functional Tight Binding with Machine Learning | The Journal of Physical Chemistry Letters | Guozheng Fan Adam McSloy Bálint Aradi Chi-Yung Yam Thomas Frauenheim | 2022/10/21 |
Erratum:“DFTB+, a software package for efficient approximate density functional theory based atomistic simulations”[J. Chem. Phys. 152, 124101 (2020)] | The Journal of Chemical Physics | B Hourahine B Aradi V Blum F Bonafé A Buccheri | 2022/7/21 |
The state of fortran | Computing in Science & Engineering | Laurence J Kedward Balint Aradi Ondřej Čertík Milan Curcic Sebastian Ehlert | 2022/3/16 |
Density functional tight binding approach utilized to study x-ray-induced transitions in solid materials | Scientific reports | Vladimir Lipp Victor Tkachenko Michal Stransky Bálint Aradi Thomas Frauenheim | 2022/1/28 |
DFT exchange: sharing perspectives on the workhorse of quantum chemistry and materials science | Andrew M Teale Trygve Helgaker Andreas Savin Carlo Adamo Bálint Aradi | 2022 | |
Applying Density Functional Tight Binding approach to study X-ray-induced phase transitions in solids | Сборник трудов конференции «International Conference on Advanced Laser Technologies (ALT)» | Vladimir Lipp Victor Tkachenko Michal Stransky Bálint Aradi Thomas Frauenheim | 2021 |
Water Reactions on Reconstructed Rutile TiO2: A Density Functional Theory/Density Functional Tight Binding Approach | The Journal of Physical Chemistry C | Filippo Balzaretti Verena Gupta Lucio Colombi Ciacchi Bálint Aradi Thomas Frauenheim | 2021/6/14 |
Curvature Constrained Splines for DFTB Repulsive Potential Parametrization | Journal of Chemical Theory and Computation | Akshay Krishna Ammothum Kandy Eddie Wadbro Bálint Aradi Peter Broqvist Jolla Kullgren | 2021/2/19 |
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