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Chemistry

D-Index
53
Citations
7873
World Ranking
13290
National Ranking
748

Overview

Jochen Blumberger is affiliated with University College London in the United Kingdom. Their research primarily spans the fields of Engineering and Physics and Astronomy, with a concentration in Electrical and Electronic Engineering as well as Atomic and Molecular Physics and Optics.

Their work focuses on several subfields, including Materials Chemistry, Renewable Energy, Sustainability and the Environment, and Electrochemistry. Key topics in their research encompass Spectroscopy and Quantum Chemical Studies, Molecular Junctions and Nanostructures, Organic Electronics and Photovoltaics, Electrochemical Analysis and Applications, Perovskite Materials and Applications, Machine Learning in Materials Science, and Organic and Molecular Conductors Research.

Jochen Blumberger has published extensively in a range of scientific venues. Frequent publication outlets include:

  • The Journal of Physical Chemistry Letters
  • arXiv (Cornell University)
  • The Journal of Chemical Physics
  • Nature Communications
  • Journal of Chemical Theory and Computation

Selected recent papers include:

  • Charge Transport in Organic Semiconductors: The Perspective from Nonadiabatic Molecular Dynamics, 2022, Accounts of Chemical Research
  • Exciton transport in molecular organic semiconductors boosted by transient quantum delocalization, 2022, Nature Communications
  • Which Multi-Heme Protein Complex Transfers Electrons More Efficiently? Comparing MtrCAB from Shewanella with OmcS from Geobacter, 2020, The Journal of Physical Chemistry Letters
  • Coherent Electron Transport across a 3 nm Bioelectronic Junction Made of Multi-Heme Proteins, 2020, The Journal of Physical Chemistry Letters
  • Nanosecond heme-to-heme electron transfer rates in a multiheme cytochrome nanowire reported by a spectrally unique His/Met-ligated heme, 2021, Proceedings of the National Academy of Sciences

Frequent coauthors collaborating with Jochen Blumberger include:

  • Samuele Giannini
  • Zdeněk Futera
  • Antoine Carof
  • Wei-Tao Peng
  • Kevin M. Rosso

Best Publications

  • Recent Advances in the Theory and Molecular Simulation of Biological Electron Transfer Reactions.

    Jochen Blumberger

  • Charge Transport in Molecular Materials: An Assessment of Computational Methods

    Harald Oberhofer;Karsten Reuter;Jochen Blumberger;Jochen Blumberger

  • Multi-haem cytochromes in Shewanella oneidensis MR-1: structures, functions and opportunities

    Marian Breuer;Kevin M. Rosso;Jochen Blumberger;Julea N. Butt

  • Electronic structure and solvation of copper and silver ions: a theoretical picture of a model aqueous redox reaction

    Jochen Blumberger;Leonardo Bernasconi;Ivano Tavernelli;Rodolphe Vuilleumier

  • Electronic couplings for molecular charge transfer: benchmarking CDFT, FODFT, and FODFTB against high-level ab initio calculations.

    Adam Kubas;Felix Hoffmann;Alexander Heck;Harald Oberhofer

  • Electron flow in multiheme bacterial cytochromes is a balancing act between heme electronic interaction and redox potentials.

    Marian Breuer;Kevin M. Rosso;Jochen Blumberger

  • Charge Transport in Organic Semiconductors: The Perspective from Nonadiabatic Molecular Dynamics

    Unknown

  • Quantum localization and delocalization of charge carriers in organic semiconducting crystals.

    Samuele Giannini;Antoine Carof;Matthew Ellis;Hui Yang

  • Free energies for biological electron transfer from QM/MM calculation: method, application and critical assessment.

    Jochen Blumberger

  • Diabatic free energy curves and coordination fluctuations for the aqueous Ag+∕Ag2+ redox couple: A biased Born-Oppenheimer molecular dynamics investigation

    Jochen Blumberger;Ivano Tavernelli;Michael L. Klein;Michiel Sprik

  • Electronic couplings for molecular charge transfer: benchmarking CDFT, FODFT and FODFTB against high-level ab initio calculations. II.

    Adam Kubas;Fruzsina Gajdos;Alexander Heck;Harald Oberhofer

  • Mechanism of O2 diffusion and reduction in FeFe hydrogenases

    Adam Kubas;Adam Kubas;Christophe Orain;David De Sancho;Laure Saujet

  • Electronic coupling matrix elements from charge constrained density functional theory calculations using a plane wave basis set

    Harald Oberhofer;Jochen Blumberger

  • Charge constrained density functional molecular dynamics for simulation of condensed phase electron transfer reactions

    Harald Oberhofer;Jochen Blumberger

  • Revisiting electronic couplings and incoherent hopping models for electron transport in crystalline C60 at ambient temperatures

    Harald Oberhofer;Jochen Blumberger

  • Ab Initio Molecular Dynamics Simulation of the Aqueous Ru2+/Ru3+ Redox Reaction: The Marcus Perspective†

    Jochen Blumberger;Michiel Sprik

  • Density-functional molecular-dynamics study of the redox reactions of two anionic, aqueous transition-metal complexes

    Yoshitaka Tateyama;Jochen Blumberger;Michiel Sprik;Ivano Tavernelli

  • Exciton transport in molecular organic semiconductors boosted by transient quantum delocalization

    Unknown

  • The oxidative inactivation of FeFe hydrogenase reveals the flexibility of the H-cluster

    Vincent Fourmond;Claudio Greco;Kateryna Sybirna;Carole Baffert

  • Cu(aq)+/Cu(aq)2+ redox reaction exhibits strong nonlinear solvent response due to change in coordination number.

    Jochen Blumberger

  • Prediction of reorganization free energies for biological electron transfer: a comparative study of Ru-modified cytochromes and a 4-helix bundle protein.

    Varomyalin Tipmanee;Harald Oberhofer;Mina Park;Kwang S. Kim

  • Electronic couplings for molecular charge transfer: Benchmarking CDFT, FODFT, and FODFTB against high-level ab initio calculations (vol 140, 104105, 2014)

    A Kubas;F Hoffmann;A Heck;H Oberhofer

Frequent Co-Authors

Kevin M. Rosso
Kevin M. Rosso Pacific Northwest National Laboratory
Michiel Sprik
Michiel Sprik University of Cambridge
Julea N. Butt
Julea N. Butt University of East Anglia
Robert B. Best
Robert B. Best National Institutes of Health
Michael L. Klein
Michael L. Klein Temple University
Marcus Elstner
Marcus Elstner Karlsruhe Institute of Technology
Christophe Léger
Christophe Léger Aix-Marseille University
Ivano Tavernelli
Ivano Tavernelli IBM (United States)
Michel Dupuis
Michel Dupuis University at Buffalo, State University of New York
Philippe Soucaille
Philippe Soucaille Federal University of Toulouse Midi-Pyrénées

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