Follow
Julian J. Kranz
Julian J. Kranz
Institute of Physical Chemistry, Karlsruhe
Verified email at kit.edu
Title
Cited by
Cited by
Year
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
3932020
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
672017
Multi-scale approach to non-adiabatic charge transport in high-mobility organic semiconductors
A Heck, JJ Kranz, T Kubar, M Elstner
Journal of Chemical Theory and Computation 11 (11), 5068-5082, 2015
552015
Parametrization and benchmark of long-range corrected DFTB2 for organic molecules
VQ Vuong, J Akkarapattiakal Kuriappan, M Kubillus, JJ Kranz, T Mast, ...
Journal of Chemical Theory and Computation 14 (1), 115-125, 2018
482018
Generalized density-functional tight-binding repulsive potentials from unsupervised machine learning
JJ Kranz, M Kubillus, R Ramakrishnan, OA von Lilienfeld, M Elstner
Journal of chemical theory and computation 14 (5), 2341-2352, 2018
452018
Percolation with long-range correlated disorder
KJ Schrenk, N Posé, JJ Kranz, LVM Van Kessenich, NAM Araújo, ...
Physical Review E 88 (5), 052102, 2013
432013
Simulation of Temperature-Dependent Charge Transport in Organic Semiconductors with Various Degrees of Disorder
A Heck, JJ Kranz, M Elstner
Journal of chemical theory and computation 12 (7), 3087-3096, 2016
292016
Benchmark and performance of long-range corrected time-dependent density functional tight binding (LC-TD-DFTB) on rhodopsins and light-harvesting complexes
BM Bold, M Sokolov, S Maity, M Wanko, PM Dohmen, JJ Kranz, ...
Physical Chemistry Chemical Physics 22 (19), 10500-10518, 2020
282020
Simulation of singlet exciton diffusion in bulk organic materials
JJ Kranz, M Elstner
Journal of chemical theory and computation 12 (9), 4209-4221, 2016
272016
Triptycene End‐Capped Quinoxalinophenanthrophenazines (QPPs): Influence of Substituents and Conditions on Aggregation in the Solid State
L Ueberricke, D Holub, J Kranz, F Rominger, M Elstner, M Mastalerz
Chemistry–A European Journal 25 (47), 11121-11134, 2019
222019
Disentangling the photophysics of DNA-stabilized silver nanocluster emitters
M Berdakin, M Taccone, KJ Julian, G Pino, CG Sánchez
The Journal of Physical Chemistry C 120 (42), 24409-24416, 2016
142016
Complex networks from space-filling bearings
JJ Kranz, NAM Araújo, JS Andrade Jr, HJ Herrmann
Physical Review E 92 (1), 012802, 2015
142015
Analytical Time-Dependent Long-Range Corrected Density Functional Tight Binding (TD-LC-DFTB) Gradients in DFTB+: Implementation and Benchmark for Excited-State Geometries and …
M Sokolov, BM Bold, JJ Kranz, S Hofener, TA Niehaus, M Elstner
Journal of Chemical Theory and Computation 17 (4), 2266-2282, 2021
82021
ezáč, CG Sánchez, M. Sternberg, M. Stöhr, F. Stuckenberg, A. Tkatchenko, VWZ Yu, and T. Frauenheim
B Hourahine, B Aradi, V Blum, F Bonafé, A Buccheri, C Camacho, ...
DFTB+, a Software Package for Efficient Approximate Density Functional …, 2020
72020
Ĺ&tild; ezáč, J
B Hourahine, B Aradi, V Blum, F Bonafé, A Buccheri, C Camacho, ...
Sánchez, CG, 0
6
DFTB+, a software package for efficient approximate density functional theory based atomistic simulations (vol 152, 124101, 2020)
B Hourahine, B Aradi, V Blum, F Bonafe, A Buccheri, C Camacho, ...
JOURNAL OF CHEMICAL PHYSICS 157 (3), 2022
2022
DFTB+: 20.1
B Hourahine, B Aradi, A Pecchia, S Ehlert, FP Bonafé, J Řezáč, ...
Zenodo, 2020
2020
Methodological Contributions to the Simulation of Charge and Energy Transport in Molecular Materials
J Kranz
KIT-Bibliothek, 2018
2018
Parametrization and benchmark of the range separated LC-DFTB2 method for organic molecules
VQ Vuong, J Kuriappan, M Kubillus, J Kranz, T Mast, T Niehaus, S Irle, ...
Abstracts of Papers of the American Chemical Society 255, 2018
2018
The system can't perform the operation now. Try again later.
Articles 1–19