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Physical Chemistry Chemical Physics : PCCP
|
March 31, 2011
1st TYC workshop on energy materials
Jochen Blumberger, Francesca Baletto, Alex Shluger
The Journal of Physical Chemistry Letters
|
January 9, 2023
Tunneling-to-Hopping Transition in Multiheme Cytochrome Bioelectronic Junctions
Zdenek Futera, Xiaojing Wu, Jochen Blumberger
Journal of Chemical Theory and Computation
|
July 5, 2024
Exciton Transport in the Nonfullerene Acceptor O-IDTBR from Nonadiabatic Molecular Dynamics
Ljiljana Stojanovic, Samuele Giannini, Jochen Blumberger
The Journal of Physical Chemistry. B
|
April 1, 2020
Ergodicity Breaking in Thermal Biological Electron Transfer? Cytochrome C Revisited II
Zdenek Futera, Xiuyun Jiang, Jochen Blumberger
The Journal of Physical Chemistry Letters
|
June 17, 2021
Mechanoelectric Response of Single-Crystal Rubrene from Ab Initio Molecular Dynamics
Jan Elsner, Samuele Giannini, Jochen Blumberger
The Journal of Physical Chemistry. B
|
August 14, 2019
Ergodicity-Breaking in Thermal Biological Electron Transfer? Cytochrome C Revisited
Xiuyun Jiang, Zdenek Futera, Jochen Blumberger
The Journal of Chemical Physics
|
December 20, 2023
Stabilized coupled trajectory mixed quantum-classical algorithm with improved energy conservation: CTMQC-EDI
Aaron Dines, Matthew Ellis, Jochen Blumberger
The Journal of Physical Chemistry Letters
|
May 23, 2018
Crossover from Hopping to Band-Like Charge Transport in an Organic Semiconductor Model: Atomistic Nonadiabatic Molecular Dynamics Simulation
Samuele Giannini, Antoine Carof, Jochen Blumberger
Physical Chemistry Chemical Physics : PCCP
|
December 4, 2019
How to calculate charge mobility in molecular materials from surface hopping non-adiabatic molecular dynamics - beyond the hopping/band paradigm
Antoine Carof, Samuele Giannini, Jochen Blumberger
Journal of Chemical Theory and Computation
|
June 22, 2023
Ultrafast Electronic Coupling Estimators: Neural Networks versus Physics-Based Approaches
Roohollah Hafizi, Jan Elsner, Jochen Blumberger
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of 12
Search research articles
Search
Showing results (21-30 of 111) with videos related to
Sort By:
Page
of 12
Physical Chemistry Chemical Physics : PCCP
|
March 31, 2011
1st TYC workshop on energy materials
Jochen Blumberger, Francesca Baletto, Alex Shluger
The Journal of Physical Chemistry Letters
|
January 9, 2023
Tunneling-to-Hopping Transition in Multiheme Cytochrome Bioelectronic Junctions
Zdenek Futera, Xiaojing Wu, Jochen Blumberger
Journal of Chemical Theory and Computation
|
July 5, 2024
Exciton Transport in the Nonfullerene Acceptor O-IDTBR from Nonadiabatic Molecular Dynamics
Ljiljana Stojanovic, Samuele Giannini, Jochen Blumberger
The Journal of Physical Chemistry. B
|
April 1, 2020
Ergodicity Breaking in Thermal Biological Electron Transfer? Cytochrome C Revisited II
Zdenek Futera, Xiuyun Jiang, Jochen Blumberger
The Journal of Physical Chemistry Letters
|
June 17, 2021
Mechanoelectric Response of Single-Crystal Rubrene from Ab Initio Molecular Dynamics
Jan Elsner, Samuele Giannini, Jochen Blumberger
The Journal of Physical Chemistry. B
|
August 14, 2019
Ergodicity-Breaking in Thermal Biological Electron Transfer? Cytochrome C Revisited
Xiuyun Jiang, Zdenek Futera, Jochen Blumberger
The Journal of Chemical Physics
|
December 20, 2023
Stabilized coupled trajectory mixed quantum-classical algorithm with improved energy conservation: CTMQC-EDI
Aaron Dines, Matthew Ellis, Jochen Blumberger
The Journal of Physical Chemistry Letters
|
May 23, 2018
Crossover from Hopping to Band-Like Charge Transport in an Organic Semiconductor Model: Atomistic Nonadiabatic Molecular Dynamics Simulation
Samuele Giannini, Antoine Carof, Jochen Blumberger
Physical Chemistry Chemical Physics : PCCP
|
December 4, 2019
How to calculate charge mobility in molecular materials from surface hopping non-adiabatic molecular dynamics - beyond the hopping/band paradigm
Antoine Carof, Samuele Giannini, Jochen Blumberger
Journal of Chemical Theory and Computation
|
June 22, 2023
Ultrafast Electronic Coupling Estimators: Neural Networks versus Physics-Based Approaches
Roohollah Hafizi, Jan Elsner, Jochen Blumberger
Page
of 12