Julian Kranz

DFTB+, a software package for efficient approximate density functional theory based atomistic simulations

B. Hourahine, Bálint Aradi, Volker Blüm et al. · The Journal of Chemical Physics · 2020 · 1.1K citations · Full text

Quantum Dynamic, Engineering, Material Simulation +21

Time-Dependent Extension of the Long-Range Corrected Density Functional Based Tight-Binding Method

Julian Kranz, Marcus Elstner, Bálint Aradi et al. · Journal of Chemical Theory and Computation · 2017 · 97 citations

Exchange-correlation Functionals, Localized Excited State, Engineering +16

Parametrization and Benchmark of Long-Range Corrected DFTB2 for Organic Molecules

Van‐Quan Vuong, A. K. Jissy, Maximilian Kubillus et al. · Journal of Chemical Theory and Computation · 2017 · 94 citations · Full text

Organic Molecules, Lc-dftb2 Model, Engineering +13

Multi-Scale Approach to Non-Adiabatic Charge Transport in High-Mobility Organic Semiconductors

Alexander Heck, Julian Kranz, Tomáš Kubař et al. · Journal of Chemical Theory and Computation · 2015 · 74 citations

Engineering, Organic Electronics, Computational Chemistry +16

Generalized Density-Functional Tight-Binding Repulsive Potentials from Unsupervised Machine Learning

Julian Kranz, Maximilian Kubillus, Raghunathan Ramakrishnan et al. · Journal of Chemical Theory and Computation · 2018 · 63 citations

Standard Dftb, Engineering, Machine Learning +16