Jochen Blumberger

Publication Activity (10 Years)

Years Active: 2018-2024
Publications (10 Years): 35

Top Topics

Electron Transfer

Density Functional Theory

Top Venues

Journal of chemical theory and computation

The journal of physical chemistry letters

Nature communications

The journal of physical chemistry. B

This page only lists publications with an associated author ORCID identifier.

Publications

Samuele Giannini, Wei-Tao Peng, Lorenzo Cupellini, Daniele Padula, Antoine Carof, Jochen Blumberger
Publisher Correction: Exciton transport in molecular organic semiconductors boosted by transient quantum delocalization. Nature communications 15 (1) (2024)
Ljiljana Stojanović, Samuele Giannini, Jochen Blumberger
Exciton Transport in the Nonfullerene Acceptor O-IDTBR from Nonadiabatic Molecular Dynamics. Journal of chemical theory and computation 20 (14) (2024)
Samuele Giannini, Wei-Tao Peng, Lorenzo Cupellini, Daniele Padula, Antoine Carof, Jochen Blumberger
Publisher Correction: Exciton transport in molecular organic semiconductors boosted by transient quantum delocalization. Nature communications 15 (1) (2024)
Kit Joll, Philipp Schienbein, Kevin M Rosso, Jochen Blumberger
Machine learning the electric field response of condensed phase systems using perturbed neural network potentials. Nature communications 15 (1) (2024)
Ljiljana Stojanović, Samuele Giannini, Jochen Blumberger
Exciton Transport in the Nonfullerene Acceptor O-IDTBR from Nonadiabatic Molecular Dynamics. Journal of chemical theory and computation 20 (14) (2024)
Ljiljana Stojanović, Samuele Giannini, Jochen Blumberger
Exciton Transport in the Nonfullerene Acceptor O-IDTBR from Nonadiabatic Molecular Dynamics. Journal of chemical theory and computation (2024)
Ljiljana Stojanović, Samuele Giannini, Jochen Blumberger
Exciton Transport in the Nonfullerene Acceptor O-IDTBR from Nonadiabatic Molecular Dynamics. Journal of chemical theory and computation 20 (14) (2024)
Zdeněk Futera, Xiaojing Wu, Jochen Blumberger
Tunneling-to-Hopping Transition in Multiheme Cytochrome Bioelectronic Junctions. The journal of physical chemistry letters 14 (2) (2023)
Zdeněk Futera, Xiaojing Wu, Jochen Blumberger
Tunneling-to-Hopping Transition in Multiheme Cytochrome Bioelectronic Junctions. The journal of physical chemistry letters 14 (2) (2023)
Roohollah Hafizi, Jan Elsner, Jochen Blumberger
Ultrafast Electronic Coupling Estimators: Neural Networks versus Physics-Based Approaches. Journal of chemical theory and computation (2023)
Samuele Giannini, Lucia Di Virgilio, Marco Bardini, Julian Hausch, Jaco J Geuchies, Wenhao Zheng, Martina Volpi, Jan Elsner, Katharina Broch, Yves H Geerts, Frank Schreiber, Guillaume Schweicher, Hai I Wang, Jochen Blumberger, Mischa Bonn, David Beljonne
Transiently delocalized states enhance hole mobility in organic molecular semiconductors. Nature materials (2023)
Zdeněk Futera, Xiaojing Wu, Jochen Blumberger
Tunneling-to-Hopping Transition in Multiheme Cytochrome Bioelectronic Junctions. The journal of physical chemistry letters (2023)
Samuele Giannini, Jochen Blumberger
Charge Transport in Organic Semiconductors: The Perspective from Nonadiabatic Molecular Dynamics. Accounts of chemical research 55 (6) (2022)
Samuele Giannini, Wei-Tao Peng, Lorenzo Cupellini, Daniele Padula, Antoine Carof, Jochen Blumberger
Exciton transport in molecular organic semiconductors boosted by transient quantum delocalization. Nature communications 13 (1) (2022)
Philipp Schienbein, Jochen Blumberger
Nanosecond solvation dynamics of the hematite/liquid water interface at hybrid DFT accuracy using committee neural network potentials. Physical chemistry chemical physics : PCCP 24 (25) (2022)
Xiuyun Jiang, Zdeněk Futera, Md Ehesan Ali, Fruzsina Gajdos, Guido F von Rudorff, Antoine Carof, Marian Breuer, Jochen Blumberger
Correction to "Cysteine Linkages Accelerate Electron Flow through Tetra-Heme Protein STC". Journal of the American Chemical Society 144 (15) (2022)
Vaibhav A Dixit, Upadhyayula Suryanarayana Murty, Priyanka Bajaj, Jochen Blumberger, Sam P De Visser
Mechanisms of Electron Transfer Rate Modulations in Cytochrome P450 BM3. The journal of physical chemistry. B 126 (47) (2022)
Christian S Ahart, Kevin M Rosso, Jochen Blumberger
Electron and Hole Mobilities in Bulk Hematite from Spin-Constrained Density Functional Theory. Journal of the American Chemical Society 144 (10) (2022)
Wei-Tao Peng, Dominik Brey, Samuele Giannini, David Dell'Angelo, Irene Burghardt, Jochen Blumberger
Exciton Dissociation in a Model Organic Interface: Excitonic State-Based Surface Hopping versus Multiconfigurational Time-Dependent Hartree. The journal of physical chemistry letters 13 (31) (2022)
Christian S Ahart, Kevin M Rosso, Jochen Blumberger
Implementation and Validation of Constrained Density Functional Theory Forces in the CP2K Package. Journal of chemical theory and computation 18 (7) (2022)
Jessica H van Wonderen, Katrin Adamczyk, Xiaojing Wu, Xiuyun Jiang, Samuel E H Piper, Christopher R Hall, Marcus J Edwards, Thomas A Clarke, Huijie Zhang, Lars J C Jeuken, Igor V Sazanovich, Michael Towrie, Jochen Blumberger, Stephen R Meech, Julea N Butt
Nanosecond heme-to-heme electron transfer rates in a multiheme cytochrome nanowire reported by a spectrally unique His/Met-ligated heme. Proceedings of the National Academy of Sciences of the United States of America 118 (39) (2021)
Matthew Ellis, Hui Yang, Samuele Giannini, Orestis G Ziogos, Jochen Blumberger
Impact of Nanoscale Morphology on Charge Carrier Delocalization and Mobility in an Organic Semiconductor. Advanced materials (Deerfield Beach, Fla.) 33 (45) (2021)
Jan Elsner, Samuele Giannini, Jochen Blumberger
Mechanoelectric Response of Single-Crystal Rubrene from Ab Initio Molecular Dynamics. The journal of physical chemistry letters 12 (25) (2021)
Zdeněk Futera, Ichiro Ide, Ben Kayser, Kavita Garg, Xiuyun Jiang, Jessica H van Wonderen, Julea N Butt, Hisao Ishii, Israel Pecht, Mordechai Sheves, David Cahen, Jochen Blumberger
Coherent Electron Transport across a 3 nm Bioelectronic Junction Made of Multi-Heme Proteins. The journal of physical chemistry letters 11 (22) (2020)
Zdeněk Futera, Xiuyun Jiang, Jochen Blumberger
Ergodicity Breaking in Thermal Biological Electron Transfer? Cytochrome C Revisited II. The journal of physical chemistry. B 124 (16) (2020)
Xiuyun Jiang, Jessica H van Wonderen, Julea N Butt, Marcus J Edwards, Thomas A Clarke, Jochen Blumberger
Which Multi-Heme Protein Complex Transfers Electrons More Efficiently? Comparing MtrCAB from Shewanella with OmcS from Geobacter. The journal of physical chemistry letters 11 (21) (2020)
Patrick Gütlein, Jochen Blumberger, Harald Oberhofer
An Iterative Fragment Scheme for the ACKS2 Electronic Polarization Model: Application to Molecular Dimers and Chains. Journal of chemical theory and computation 16 (9) (2020)
Antoine Carof, Samuele Giannini, Jochen Blumberger
How to calculate charge mobility in molecular materials from surface hopping non-adiabatic molecular dynamics - beyond the hopping/band paradigm. Physical chemistry chemical physics : PCCP 21 (48) (2019)
Jessica H van Wonderen, Christopher R Hall, Xiuyun Jiang, Katrin Adamczyk, Antoine Carof, Ismael A Heisler, Samuel E H Piper, Thomas A Clarke, Nicholas J Watmough, Igor V Sazanovich, Michael Towrie, Stephen R Meech, Jochen Blumberger, Julea N Butt
Ultrafast Light-Driven Electron Transfer in a Ru(II)tris(bipyridine)-Labeled Multiheme Cytochrome. Journal of the American Chemical Society 141 (38) (2019)
Xiuyun Jiang, Zdeněk Futera, Jochen Blumberger
Ergodicity-Breaking in Thermal Biological Electron Transfer? Cytochrome C Revisited. The journal of physical chemistry. B 123 (35) (2019)
Patrick Gütlein, Lucas Lang, Karsten Reuter, Jochen Blumberger, Harald Oberhofer
Toward First-Principles-Level Polarization Energies in Force Fields: A Gaussian Basis for the Atom-Condensed Kohn-Sham Method. Journal of chemical theory and computation 15 (8) (2019)
Xiuyun Jiang, Bastian Burger, Fruzsina Gajdos, C Bortolotti, Zdeněk Futera, Marian Breuer, Jochen Blumberger
Kinetics of trifurcated electron flow in the decaheme bacterial proteins MtrC and MtrF. Proceedings of the National Academy of Sciences of the United States of America 116 (9) (2019)
Kavita Garg, Mihir Ghosh, Tamar Eliash, Jessica H van Wonderen, Julea N Butt, Liang Shi, Xiuyun Jiang, Zdeněk Futera, Jochen Blumberger, Israel Pecht, Mordechai Sheves, David Cahen
Direct evidence for heme-assisted solid-state electronic conduction in multi-heme c-type cytochromes. Chemical science 9 (37) (2018)
Oliver R Gittus, Guido Falk von Rudorff, Kevin M Rosso, Jochen Blumberger
Acidity Constants of the Hematite-Liquid Water Interface from Ab Initio Molecular Dynamics. The journal of physical chemistry letters 9 (18) (2018)
Zdeněk Futera, Jochen Blumberger
Adsorption of Amino Acids on Gold: Assessing the Accuracy of the GolP-CHARMM Force Field and Parametrization of Au-S Bonds. Journal of chemical theory and computation 15 (1) (2018)