Mark E. Eberhart

TU Wien — Austria

Physics and Astronomy · Physical Sciences

27h-index2.5kcitations144works5.22yr avg
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Research Topics

Advanced Chemical Physics Studies(32), Machine Learning in Materials Science(21), Protein Structure and Dynamics(16), Crystallography and molecular interactions(16), Microstructure and mechanical properties(12)

Publications144 total

Methods for Theoretical Treatment of Local Fields in Proteins and Enzymes
Chemical Reviews·2025· 18 cited
Insights into stability and control of the powerslide motion with variable drive torque distribution – applied to a driver assistance system
Vehicle System Dynamics·2025· 9 cited
Electric fields imbue enzyme reactivity by aligning active site fragment orbitals
Proceedings of the National Academy of Sciences·2024· 3 citedOpen Access
Electric fields imbue enzyme reactivity by aligning active site fragment orbitals
2024
Electric fields imbue enzyme reactivity by aligning active site fragment orbitals
2024Open Access
Mechanisms for cleavage and intergranular embrittlement in Fe
University of North Texas Digital Library (University of North Texas)·2024· 1 citedOpen Access
Corrigendum: Observing the 3D Chemical Bond and its Energy Distribution in a Projected Space
ChemPhysChem·2023Open Access
Unicorns, Rhinoceroses and Chemical Bonds
Molecules·2023· 3 citedOpen Access
Contributors
Elsevier eBooks·2023
A bond bundle case study of Diels-Alder catalysis using oriented electric fields
Elsevier eBooks·2023· 1 cited
Geometry of Charge Density as a Reporter on the Role of the Protein Scaffold in Enzymatic Catalysis: Electrostatic Preorganization and Beyond
Journal of Chemical Theory and Computation·2022· 16 citedOpen Access
Bond Bundle Analysis of Ketosteroid Isomerase
The Journal of Physical Chemistry B·2022· 8 cited
Bond Bundle Analysis of Ketosteroid Isomerase
2022· 1 citedOpen Access
Bond Bundle Analysis of Ketosteroid Isomerase
2022Open Access
Bond Bundle Analysis of Ketosteroid Isomerase
2022Open Access
Gradient bundle analysis of ketosteroid isomerase
2022Open Access
Gradient bundle analysis of ketosteroid isomerase
2022· 1 citedOpen Access
Gradient bundle analysis of ketosteroid isomerase
2022Open Access
A Bond Bundle Case Study of Diels-Alder Catalysis Using Oriented Electric Fields
2022· 4 citedOpen Access
Neighborhoods and functionality in metals
Physical Chemistry Chemical Physics·2022Open Access
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Frequent Co-authors

Travis E. Jones(10), Dennis P. Clougherty(9), Amanda Morgenstern(8), J. M. MacLaren(8), Timothy Wilson(7), K. H. Johnson(6), Anastassia N. Alexandrova(6), Dimitri D. Vvedensky(5), Jonathan Miorelli(3), S. Crampin(3), Michael E. McHenry(3), M. E. McHenry(2), R. M. Latanision(2), M. Donovan(2), R. C. O’Handley(2), Scott T. Imlay(2), Craig Mackey(2), I. Maroef(1), D.L. Olson(1), G.R. Edwards(1)