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Journal of the American Chemical Society|March 3, 2022
Electron and Hole Mobilities in Bulk Hematite from Spin-Constrained Density Functional TheoryChristian S Ahart, Kevin M Rosso, Jochen BlumbergerJournal of Chemical Theory and Computation|June 14, 2022
Implementation and Validation of Constrained Density Functional Theory Forces in the CP2K PackageChristian S Ahart, Kevin M Rosso, Jochen BlumbergerPhysical Chemistry Chemical Physics : PCCP|February 25, 2020
Polaronic structure of excess electrons and holes for a series of bulk iron oxidesChristian S Ahart, Jochen Blumberger, Kevin M RossoProceedings of the National Academy of Sciences of the United States of America|January 4, 2014
Electron flow in multiheme bacterial cytochromes is a balancing act between heme electronic interaction and redox potentialsMarian Breuer, Kevin M Rosso, Jochen BlumbergerBiophysical Journal|December 20, 2015
Flavin Binding to the Deca-heme Cytochrome MtrC: Insights from Computational Molecular SimulationMarian Breuer, Kevin M Rosso, Jochen BlumbergerThe Journal of Physical Chemistry. B|March 2, 2026
Transition from Vehicular to Structural Ionic Transport in Electrified Alkali Aqueous SolutionsKit Joll, Philipp Schienbein, Kevin M Rosso, et al.The Journal of Physical Chemistry Letters|January 17, 2025
Mechanism of Fe(II) Chemisorption on Hematite(001) Revealed by Reactive Neural Network Potential Molecular DynamicsKit Joll, Philipp Schienbein, Kevin M Rosso, et al.Journal of the American Chemical Society|June 6, 2012
Thermodynamics of electron flow in the bacterial deca-heme cytochrome MtrFMarian Breuer, Piotr Zarzycki, Jochen Blumberger, et al.Nature Communications|September 18, 2024
Machine learning the electric field response of condensed phase systems using perturbed neural network potentialsKit Joll, Philipp Schienbein, Kevin M Rosso, et al.Journal of the Royal Society, Interface|November 21, 2014
Multi-haem cytochromes in Shewanella oneidensis MR-1: structures, functions and opportunitiesMarian Breuer, Kevin M Rosso, Jochen Blumberger, et al.Pageof 30