Harald Oberhofer - Concepedia

Author

Harald Oberhofer

Technical University of Munich ORCID

Also Known As

H. Oberhofer, Harald Oberhofer, Oberhofer, H, Oberhofer, Harald, Reuter, Karsten

Publications

4.3K

Citations

H-Index

Concepts

All Affiliations

Technical University of Munich University College London University of Cambridge University of Vienna Fritz Haber Institute of the Max Planck Society

About

Harald Oberhofer is an author at Technical University of Munich specializing in engineering, computational chemistry, and chemistry.

Top Concepts

#	Concept	H-Index	Publications	Citations
1	Engineering	21	25	2.4K
2	Natural Sciences	16	18	1.2K
3	Applied Physics	6	6	425
4	Medicine	2	2	678
5	Business	1	1	17

Harald Oberhofer

Publications

3.4K

Citations

H-Index

Page 1

	Year	Citations
Report on the sixth blind test of organic crystal structure prediction methods Anthony M. Reilly, Richard I. Cooper, Claire S. Adjiman, Acta Crystallographica Section B Structural Science Crystal Engineering and Materials Crystal StructureEngineeringOrganic ChemistryComputational ChemistryChemistry	2016	593
Biased Sampling of Nonequilibrium Trajectories: Can Fast Switching Simulations Outperform Conventional Free Energy Calculation Methods? Harald Oberhofer, Christoph Dellago, Phillip L. Geissler The Journal of Physical Chemistry B Dynamic EquilibriumEngineeringMarkov Chain Monte CarloNonequilibrium TrajectoriesUmbrella Sampling	2005	238
Electronic couplings for molecular charge transfer: Benchmarking CDFT, FODFT, and FODFTB against high-level <i>ab initio</i> calculations Adam Kubas, F. Hoffmann, Alexander Heck, The Journal of Chemical Physics Charge ExcitationsEngineeringProton-coupled Electron TransferThiophene DimersExcitation Energy Transfer	2014	199
Chemical Activity of Thin Oxide Layers: Strong Interactions with the Support Yield a New Thin‐Film Phase of ZnO Vadim Schott, Harald Oberhofer, Alexander Birkner, Angewandte Chemie International Edition EngineeringMethanolZno LayersInfluential SupportThin Film Process Technology	2013	192
Electronic couplings for molecular charge transfer: benchmarking CDFT, FODFT and FODFTB against high-level ab initio calculations. II Adam Kubas, Fruzsina Gajdos, Alexander Heck, Physical Chemistry Chemical Physics Hab11 DatabaseEngineeringProton-coupled Electron TransferExcitation Energy TransferComputational Chemistry	2014	132
Active discovery of organic semiconductors Christian Künkel, Johannes T. Margraf, Ke Chen, Nature Communications	2021	129
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 Thermal FluctuationsEngineeringProton-coupled Electron TransferComputational ChemistryChemistry	2010	113
Charge constrained density functional molecular dynamics for simulation of condensed phase electron transfer reactions Harald Oberhofer, Jochen Blumberger The Journal of Chemical Physics Electronic Excited StateEngineeringPhysicsNatural SciencesElectronic Structure	2009	110
Surface Adsorption Energetics Studied with “Gold Standard” Wave-Function-Based Ab Initio Methods: Small-Molecule Binding to TiO<sub>2</sub>(110) Adam Kubas, Daniel Berger, Harald Oberhofer, The Journal of Physical Chemistry Letters	2016	110
Virtual Screening for High Carrier Mobility in Organic Semiconductors Christoph Schober, Karsten Reuter, Harald Oberhofer The Journal of Physical Chemistry Letters Organic Charge-transfer CompoundVirtual ScreeningEngineeringOrganic ElectronicsNatural Sciences	2016	104

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