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B

Bálint Aradi

university of bremen

39H指数
161论文数
7.9K被引数
收录论文 71
发表时间
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DSKO: Dancing through DFTB ParametrizationDSKO：通过DFTB参数化起舞
errJournal of Chemical Theory and Computation
IF5.5
err2026-05-01
err0
errOAAI
errArtem Samtsevych; Yihua Song; Tammo van der Heide; Balint Aradi; Benjamin Hourahine; Reinhard J. Maurer; Karsten Reuter; Christoph Scheurer; Chiara Panosetti
err分享
err收藏
Hybrid Functional DFTB Parametrizations for Modeling Organic Photovoltaic Systems混合功能DFTB参数化方法用于有机光伏系统的建模
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2025-05-08
err0
errOAAI
errSun, Wenbo; van der Heide, Tammo; Vuong, Van-Quan; Frauenheim, Thomas; Sentef, Michael A.; Aradi, Balint; Lien-Medrano, Carlos R.
err分享
err收藏
Flexible and efficient semiempirical DFTB parameters for electronic structure prediction of 3D, 2D iodide perovskites and heterostructures
errPHYSICAL REVIEW MATERIALS
IF3.4
err2025-02-21
err0
PREAI
errJiang, Junke; van der Heide, Tammo; Thebaud, Simon; Lien-Medrano, Carlos Raul; Fihey, Arnaud; Pedesseau, Laurent; Quarti, Claudio; Zacharias, Marios; Volonakis, George; Kepenekian, Mikael; Aradi, Balint; Sentef, Michael A.; Even, Jacky; Katan, Claudine
err分享
err收藏
Non-adiabatic Couplings in Surface Hopping with Tight Binding Density Functional Theory: The Case of Molecular Motors
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2024-11-20
err1
PREAI
errMiron, Gonzalo Diaz; Lien-Medrano, Carlos R.; Banerjee, Debarshi; Monti, Marta; Aradi, Balint; Sentef, Michael A.; Niehaus, Thomas A.; Hassanali, Ali
err分享
err收藏
Amber free energy tools: Interoperable software for free energy simulations using generalized quantum mechanical/molecular mechanical and machine learning potentials
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2024-06-10
err6
PREAI
errTao, Yujun; Giese, Timothy J.; Ekesan, Solen; Zeng, Jinzhe; Aradi, Balint; Ben Hourahine; Aktulga, Hasan Metin; Gotz, Andreas W.; Merz Jr, Kenneth M.; York, Darrin M.
err分享
err收藏
Phonon-induced band gap renormalization by dielectric dependent global hybrid density functional tight binding
errPHYSICAL REVIEW B
IF3.7
err2024-06-03
err1
errOAAI
errvan der Heide, Tammo; Hourahine, Ben; Aradi, Balint; Frauenheim, Thomas; Niehaus, Thomas A.
err分享
err收藏
Free energy curves for the Volmer reaction obtained from molecular dynamics simulation based on quantum chemistry基于量子化学的分子动力学模拟获得的Volmer反应自由能曲线
errJOURNAL OF ELECTROANALYTICAL CHEMISTRY
IF4.1
err2024-02-01
err7
errOAAI
errSantos, Elizabeth; Aradi, Balint; van der Heide, Tammo; Schmickler, Wolfgang
err分享
err收藏
libMBD: A general-purpose package for scalable quantum many-body dispersion calculations
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-11-07
err5
errOAAI
errHermann, Jan; Stohr, Martin; Goger, Szabolcs; Chaudhuri, Shayantan; Aradi, Balint; Maurer, Reinhard J.; Tkatchenko, Alexandre
err分享
err收藏
Multipole Expansion of Atomic Electron Density Fluctuation Interactions in the Density-Functional Tight-Binding Method
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2023-10-27
err2
PREAI
errVuong, Van-Quan; Aradi, Balint; Niklasson, Anders M. N.; Cui, Qiang; Irle, Stephan
err分享
err收藏
Why DFT-Based Tight Binding Gives a Better Representation of the Potential at Metal-Solution Interfaces than DFT Does
errCHEMELECTROCHEM
IF3.5
err2023-09-26
err5
errOAAI
errQuaino, Paola; Nunez, Jose Luis; Aradi, Balint; van Der Heide, Tammo; Santos, Elizabeth; Schmickler, Wolfgang
err分享
err收藏
Machine Learning Enhanced DFTB Method for Periodic Systems: Learning from Electronic Density of States
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2023-06-23
err7
PREAI
errSun, Wenbo; Fan, Guozheng; van der Heide, Tammo; McSloy, Adam; Frauenheim, Thomas; Aradi, Balint
err分享
err收藏
Hybrid functionals for periodic systems in the density functional tight-binding method
errPHYSICAL REVIEW MATERIALS
IF3.4
err2023-06-06
err5
errOAAI
errvan der Heide, Tammo; Aradi, Balint; Hourahine, Ben; Frauenheim, Thomas; Niehaus, Thomas A.
err分享
err收藏
Fortnet, a software package for training Behler-Parrinello neural networks
errCOMPUTER PHYSICS COMMUNICATIONS
IF3.4
err2023-03-01
err5
errOAAI
errvan der Heide, T.; Kullgren, J.; Broqvist, P.; Bacic, V.; Frauenheim, T.; Aradi, B.
err分享
err收藏
Accelerating the density-functional tight-binding method using graphical processing units
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-02-24
err6
errOAAI
errVuong, Van-Quan; Cevallos, Caterina; Hourahine, Ben; Aradi, Balint; Jakowski, Jacek; Irle, Stephan; Camacho, Cristopher
err分享
err收藏
TBMaLT, a flexible toolkit for combining tight-binding and machine learning
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-01-18
err21
errOAAI
errMcSloy, A.; Fan, G.; Sun, W.; Hoelzer, C.; Friede, M.; Ehlert, S.; Schuette, N. -E.; Grimme, S.; Frauenheim, T.; Aradi, B.
err分享
err收藏
DFTB+, a software package for efficient approximate density functional theory based atomistic simulations (vol 152, 124101, 2020)
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2022-07-18
err5
errOAAI
errHourahine, B.; Aradi, B.; Blum, V.; Bonafe, F.; Buccheri, A.; Camacho, C.; Cevallos, C.; Deshaye, M. Y.; Dumitrica, T.; Dominguez, A.; Ehlert, S.; Elstner, M.; van der Heide, T.; Hermann, J.; Irle, S.; Jakowski, J.; Kranz, J. J.; Koehler, C.; Kowalczyk, T.; Kubar, T.; Lee, I. S.; Lutsker, V.; Maurer, R. J.; Min, S. K.; Mitchell, I.; Negre, C.; Niehaus, T. A.; Niklasson, A. M. N.; Page, A. J.; Pecchia, A.; Penazzi, G.; Persson, M. P.; Rezac, J.; Sanchez, C. G.; Sternberg, M.; Stohr, M.; Stuckenberg, F.; Tkatchenko, A.; Yu, V. W. -Z.; Frauenheim, T.
err分享
err收藏
Density functional tight binding approach utilized to study X-ray-induced transitions in solid materials
errSCIENTIFIC REPORTS
IF3.9
err2022-01-28
err14
errOAAI
errLipp, Vladimir; Tkachenko, Victor; Stransky, Michal; Aradi, Balint; Frauenheim, Thomas; Ziaja, Beata
err分享
err收藏
Dynamical evolution of the Schottky barrier as a determinant contribution to electron-hole pair stabilization and photocatalysis of plasmon-induced hot carriers
errNANOSCALE
IF5.1
err2022-01-01
err18
errOAAI
errBerdakin, Matias; Soldano, German; Bonafe, Franco P.; Liubov, Varlamova; Aradi, Balint; Frauenheim, Thomas; Sanchez, Cristian G.
err分享
err收藏
Using DFTB to Model Photocatalytic Anatase-Rutile TiO2 Nanocrystalline Interfaces and Their Band Alignment
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2021-07-07
err4
errOAAI
errGupta, Verena Kristin; Aradi, Balint; Kweon, Kyoung; Keilbart, Nathan; Goldman, Nir; Frauenheim, Thomas; Kullgren, Jolla
err分享
err收藏
Semi-Automated Creation of Density Functional Tight Binding Models through Leveraging Chebyshev Polynomial-Based Force Fields通过利用基于Chebyshev多项式的力场半自动创建密度泛函紧密结合模型
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2021-06-15
err23
errOAAI
errGoldman, Nir; Kweon, Kyoung E.; Sadigh, Babak; Heo, Tae Wook; Lindsey, Rebecca K.; Pham, C. Huy; Fried, Laurence E.; Aradi, Balint; Holliday, Kiel; Jeffries, Jason R.; Wood, Brandon C.
err分享
err收藏

研究方向

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合作学者
合作期刊
S
Stefan Grimme
H 指数: 136 · 论文数: 1.5K
K
Keiji Morokuma
H 指数: 108 · 论文数: 1.4K
T
Thomas Frauenheim
H 指数: 100 · 论文数: 939
O
Oleg V. Prezhdo
H 指数: 98 · 论文数: 805
F
F. Bechstedt
H 指数: 92 · 论文数: 810
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