Showing results (1-10 of 156) with videos related to
Sort By:
Pageof 16
Journal of Chemical Theory and Computation|July 20, 2016
Simulation of Singlet Exciton Diffusion in Bulk Organic MaterialsJulian J Kranz, Marcus ElstnerJournal of Chemical Theory and Computation|May 26, 2016
Simulation of Temperature-Dependent Charge Transport in Organic Semiconductors with Various Degrees of DisorderAlexander Heck, Julian J Kranz, Marcus ElstnerJournal of Chemical Theory and Computation|November 18, 2015
Multi-Scale Approach to Non-Adiabatic Charge Transport in High-Mobility Organic SemiconductorsAlexander Heck, Julian J Kranz, Tomáš Kubař, et al.Journal of Chemical Theory and Computation|March 27, 2018
Generalized Density-Functional Tight-Binding Repulsive Potentials from Unsupervised Machine LearningJulian J Kranz, Maximilian Kubillus, Raghunathan Ramakrishnan, et al.Journal of Chemical Theory and Computation|March 10, 2021
Analytical Time-Dependent Long-Range Corrected Density Functional Tight Binding (TD-LC-DFTB) Gradients in DFTB+: Implementation and Benchmark for Excited-State Geometries and Transition EnergiesMonja Sokolov, Beatrix M Bold, Julian J Kranz, et al.Journal of Chemical Theory and Computation|March 9, 2017
Time-Dependent Extension of the Long-Range Corrected Density Functional Based Tight-Binding MethodJulian J Kranz, Marcus Elstner, Bálint Aradi, et al.Journal of Chemical Theory and Computation|December 13, 2017
Parametrization and Benchmark of Long-Range Corrected DFTB2 for Organic MoleculesVan Quan Vuong, Jissy Akkarapattiakal Kuriappan, Maximilian Kubillus, et al.Physical Chemistry Chemical Physics : PCCP|January 18, 2020
Benchmark and performance of long-range corrected time-dependent density functional tight binding (LC-TD-DFTB) on rhodopsins and light-harvesting complexesBeatrix M Bold, Monja Sokolov, Sayan Maity, et al.Physical Chemistry Chemical Physics : PCCP|June 6, 2023
Correction: Benchmark and performance of long-range corrected time-dependent density functional tight binding (LC-TD-DFTB) on rhodopsins and light-harvesting complexesBeatrix M Bold, Monja Sokolov, Sayan Maity, et al.Journal of the Royal Society, Interface|July 26, 2013
A hybrid approach to simulation of electron transfer in complex molecular systemsTomáš Kubař, Marcus ElstnerPageof 16