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J

Julian Kranz

Helmholtz Association

13H-index
35Paper Count
1.7KCitation Count
Published Papers 10
Publication Date
DFTB+, a software package for efficient approximate density functional theory based atomistic simulations (vol 152, 124101, 2020)
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.
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DFTB plus , a software package for efficient approximate density functional theory based atomistic simulations
err2020-03-23
err801
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.; 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.; Stoehr, M.; Stuckenberg, F.; Tkatchenko, A.; Yu, V. W. -z.; Frauenheim, T.
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Triptycene End-Capped Quinoxalinophenanthrophenazines (QPPs): Influence of Substituents and Conditions on Aggregation in the Solid State
err2019-08-01
err21
PREAI
errUeberricke, Lucas; Holub, Daniel; Kranz, Julian; Rominger, Frank; Elstner, Marcus; Mastalerz, Michael
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Generalized Density-Functional Tight-Binding Repulsive Potentials from Unsupervised Machine Learning
err2018-03-26
err49
errOAAI
errKranz, Julian J.; Kubillus, Maximilian; Ramakrishnan, Raghunathan; von Lilienfeld, O. Anatole; Elstner, Marcus
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Parametrization and Benchmark of Long-Range Corrected DFTB2 for Organic Molecules
err2017-12-27
err74
PREAI
errVan Quan Vuong; Kuriappan, Jissy Akkarapattiakal; Kubillus, Maximilian; Kranz, Julian J.; Mast, Thilo; Niehaus, Thomas A.; Irle, Stephan; Elstner, Marcus
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Time-Dependent Extension of the Long-Range Corrected Density Functional Based Tight-Binding Method
err2017-03-21
err71
PREAI
errKranz, Julian J.; Elstner, Marcus; Aradi, Balint; Frauenheim, Thomas; Lutsker, Vitalij; Garcia, Adriel Dominguez; Niehaus, Thomas A.
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