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Journal of Chemical Theory and Computation
|
July 20, 2016
Simulation of Singlet Exciton Diffusion in Bulk Organic Materials
Julian J Kranz, Marcus Elstner
Journal of Chemical Theory and Computation
|
May 26, 2016
Simulation of Temperature-Dependent Charge Transport in Organic Semiconductors with Various Degrees of Disorder
Alexander Heck, Julian J Kranz, Marcus Elstner
Journal of Chemical Theory and Computation
|
November 18, 2015
Multi-Scale Approach to Non-Adiabatic Charge Transport in High-Mobility Organic Semiconductors
Alexander 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 Learning
Julian 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 Energies
Monja 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 Method
Julian 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 Molecules
Van 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 complexes
Beatrix 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 complexes
Beatrix M Bold, Monja Sokolov, Sayan Maity, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 9) with videos related to
Sort By:
Page
of 1
Journal of Chemical Theory and Computation
|
July 20, 2016
Simulation of Singlet Exciton Diffusion in Bulk Organic Materials
Julian J Kranz, Marcus Elstner
Journal of Chemical Theory and Computation
|
May 26, 2016
Simulation of Temperature-Dependent Charge Transport in Organic Semiconductors with Various Degrees of Disorder
Alexander Heck, Julian J Kranz, Marcus Elstner
Journal of Chemical Theory and Computation
|
November 18, 2015
Multi-Scale Approach to Non-Adiabatic Charge Transport in High-Mobility Organic Semiconductors
Alexander 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 Learning
Julian 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 Energies
Monja 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 Method
Julian 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 Molecules
Van 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 complexes
Beatrix 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 complexes
Beatrix M Bold, Monja Sokolov, Sayan Maity, et al.
Page
of 1