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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
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
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October 4, 2024
Data-Efficient Active Learning for Thermodynamic Integration: Acidity Constants of BiVO<sub>4</sub> in Water
Philipp Schienbein, Jochen Blumberger
The Journal of Chemical Physics
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January 5, 2011
Electronic coupling matrix elements from charge constrained density functional theory calculations using a plane wave basis set
Harald Oberhofer, Jochen Blumberger
The Journal of Chemical Physics
|
August 21, 2009
Charge constrained density functional molecular dynamics for simulation of condensed phase electron transfer reactions
Harald Oberhofer, Jochen Blumberger
Physical Chemistry Chemical Physics : PCCP
|
June 15, 2022
Nanosecond solvation dynamics of the hematite/liquid water interface at hybrid DFT accuracy using committee neural network potentials
Philipp Schienbein, Jochen Blumberger
The Journal of Chemical Physics
|
December 19, 2025
Strong intermolecular coupling protects delocalization and transport of organic exciton-polaritons against static excitation energy disorder
Ilia Sokolovskii, Jochen Blumberger
Journal of the American Chemical Society
|
October 19, 2006
Reorganization free energies for long-range electron transfer in a porphyrin-binding four-helix bundle protein
Jochen Blumberger, Michael L Klein
Proceedings of the National Academy of Sciences of the United States of America
|
April 12, 2012
Mechanistic insight into the blocking of CO diffusion in [NiFe]-hydrogenase mutants through multiscale simulation
Po-hung Wang, Jochen Blumberger
The Journal of Chemical Physics
|
January 1, 2022
Ultrafast estimation of electronic couplings for electron transfer between pi-conjugated organic molecules. II
Orestis George Ziogos, Jochen Blumberger
Physical Chemistry Chemical Physics : PCCP
|
January 5, 2013
Constrained density functional theory applied to electron tunnelling between defects in MgO
Jochen Blumberger, Keith P McKenna
Page
of 12
Search research articles
Search
Showing results (11-20 of 111) with videos related to
Sort By:
Page
of 12
Accounts of Chemical Research
|
February 23, 2022
Charge Transport in Organic Semiconductors: The Perspective from Nonadiabatic Molecular Dynamics
Samuele Giannini, Jochen Blumberger
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
October 4, 2024
Data-Efficient Active Learning for Thermodynamic Integration: Acidity Constants of BiVO<sub>4</sub> in Water
Philipp Schienbein, Jochen Blumberger
The Journal of Chemical Physics
|
January 5, 2011
Electronic coupling matrix elements from charge constrained density functional theory calculations using a plane wave basis set
Harald Oberhofer, Jochen Blumberger
The Journal of Chemical Physics
|
August 21, 2009
Charge constrained density functional molecular dynamics for simulation of condensed phase electron transfer reactions
Harald Oberhofer, Jochen Blumberger
Physical Chemistry Chemical Physics : PCCP
|
June 15, 2022
Nanosecond solvation dynamics of the hematite/liquid water interface at hybrid DFT accuracy using committee neural network potentials
Philipp Schienbein, Jochen Blumberger
The Journal of Chemical Physics
|
December 19, 2025
Strong intermolecular coupling protects delocalization and transport of organic exciton-polaritons against static excitation energy disorder
Ilia Sokolovskii, Jochen Blumberger
Journal of the American Chemical Society
|
October 19, 2006
Reorganization free energies for long-range electron transfer in a porphyrin-binding four-helix bundle protein
Jochen Blumberger, Michael L Klein
Proceedings of the National Academy of Sciences of the United States of America
|
April 12, 2012
Mechanistic insight into the blocking of CO diffusion in [NiFe]-hydrogenase mutants through multiscale simulation
Po-hung Wang, Jochen Blumberger
The Journal of Chemical Physics
|
January 1, 2022
Ultrafast estimation of electronic couplings for electron transfer between pi-conjugated organic molecules. II
Orestis George Ziogos, Jochen Blumberger
Physical Chemistry Chemical Physics : PCCP
|
January 5, 2013
Constrained density functional theory applied to electron tunnelling between defects in MgO
Jochen Blumberger, Keith P McKenna
Page
of 12