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Journal of Chemical Theory and Computation
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July 8, 2024
Nonadiabatic Simulation of Exciton Dynamics in Organic Semiconductors Using Neural Network-Based Frenkel Hamiltonian and Gradients
Farhad Ghalami, Philipp M Dohmen, Mila Krämer, et al.
The Journal of Physical Chemistry. B
|
March 24, 2025
Exciton Transfer Simulations in a Light-Harvesting 2 Complex Reveal the Transient Delocalization Mechanism
David S Hoffmann, Philipp M Dohmen, Monja Sokolov, et al.
Journal of Chemical Theory and Computation
|
June 21, 2023
Modeling Charge Transport in Organic Semiconductors Using Neural Network Based Hamiltonians and Forces
Philipp M Dohmen, Mila Krämer, Patrick Reiser, et al.
Journal of Chemical Theory and Computation
|
June 4, 2020
Charge and Exciton Transfer Simulations Using Machine-Learned Hamiltonians
Mila Krämer, Philipp M Dohmen, Weiwei Xie, et al.
Physical Chemistry Chemical Physics : PCCP
|
July 9, 2024
Non-adiabatic molecular dynamics simulations provide new insights into the exciton transfer in the Fenna-Matthews-Olson complex
Monja Sokolov, David S Hoffmann, Philipp M Dohmen, et al.
Journal of Computational Chemistry
|
May 16, 2021
Geometry dependence of excitonic couplings and the consequences for configuration-space sampling
Nils Schieschke, Beatrix M Bold, Philipp M Dohmen, 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 8) with videos related to
Sort By:
Page
of 1
Journal of Chemical Theory and Computation
|
July 8, 2024
Nonadiabatic Simulation of Exciton Dynamics in Organic Semiconductors Using Neural Network-Based Frenkel Hamiltonian and Gradients
Farhad Ghalami, Philipp M Dohmen, Mila Krämer, et al.
The Journal of Physical Chemistry. B
|
March 24, 2025
Exciton Transfer Simulations in a Light-Harvesting 2 Complex Reveal the Transient Delocalization Mechanism
David S Hoffmann, Philipp M Dohmen, Monja Sokolov, et al.
Journal of Chemical Theory and Computation
|
June 21, 2023
Modeling Charge Transport in Organic Semiconductors Using Neural Network Based Hamiltonians and Forces
Philipp M Dohmen, Mila Krämer, Patrick Reiser, et al.
Journal of Chemical Theory and Computation
|
June 4, 2020
Charge and Exciton Transfer Simulations Using Machine-Learned Hamiltonians
Mila Krämer, Philipp M Dohmen, Weiwei Xie, et al.
Physical Chemistry Chemical Physics : PCCP
|
July 9, 2024
Non-adiabatic molecular dynamics simulations provide new insights into the exciton transfer in the Fenna-Matthews-Olson complex
Monja Sokolov, David S Hoffmann, Philipp M Dohmen, et al.
Journal of Computational Chemistry
|
May 16, 2021
Geometry dependence of excitonic couplings and the consequences for configuration-space sampling
Nils Schieschke, Beatrix M Bold, Philipp M Dohmen, 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