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Accounts of Chemical Research
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February 23, 2022
Charge Transport in Organic Semiconductors: The Perspective from Nonadiabatic Molecular Dynamics
Samuele Giannini, 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
Physical Chemistry Chemical Physics : PCCP
|
December 7, 2017
Electron and excitation energy transfers in covalently linked donor-acceptor dyads: mechanisms and dynamics revealed using quantum chemistry
Lorenzo Cupellini, Samuele Giannini, Benedetta Mennucci
The Journal of Chemical Physics
|
December 10, 2017
Detailed balance, internal consistency, and energy conservation in fragment orbital-based surface hopping
Antoine Carof, Samuele Giannini, 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 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
Faraday Discussions
|
September 21, 2019
Nonadiabatic dynamics with quantum nuclei: simulating charge transfer with ring polymer surface hopping
Soumya Ghosh, Samuele Giannini, Kevin Lively, et al.
The Journal of Physical Chemistry Letters
|
August 20, 2021
Long-Range Interactions Boost Singlet Exciton Diffusion in Nanofibers of π-Extended Polymer Chains
Suryoday Prodhan, Samuele Giannini, Linjun Wang, et al.
Nature Communications
|
December 22, 2025
Transiently delocalised hybrid quantum states are gateways for efficient exciton dissociation at organic donor-acceptor interfaces
Filip Ivanović, Samuele Giannini, Wei-Tao Peng, et al.
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of 4
Search research articles
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Showing results (1-10 of 34) with videos related to
Sort By:
Page
of 4
Accounts of Chemical Research
|
February 23, 2022
Charge Transport in Organic Semiconductors: The Perspective from Nonadiabatic Molecular Dynamics
Samuele Giannini, 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
Physical Chemistry Chemical Physics : PCCP
|
December 7, 2017
Electron and excitation energy transfers in covalently linked donor-acceptor dyads: mechanisms and dynamics revealed using quantum chemistry
Lorenzo Cupellini, Samuele Giannini, Benedetta Mennucci
The Journal of Chemical Physics
|
December 10, 2017
Detailed balance, internal consistency, and energy conservation in fragment orbital-based surface hopping
Antoine Carof, Samuele Giannini, 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 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
Faraday Discussions
|
September 21, 2019
Nonadiabatic dynamics with quantum nuclei: simulating charge transfer with ring polymer surface hopping
Soumya Ghosh, Samuele Giannini, Kevin Lively, et al.
The Journal of Physical Chemistry Letters
|
August 20, 2021
Long-Range Interactions Boost Singlet Exciton Diffusion in Nanofibers of π-Extended Polymer Chains
Suryoday Prodhan, Samuele Giannini, Linjun Wang, et al.
Nature Communications
|
December 22, 2025
Transiently delocalised hybrid quantum states are gateways for efficient exciton dissociation at organic donor-acceptor interfaces
Filip Ivanović, Samuele Giannini, Wei-Tao Peng, et al.
Page
of 4