Harald Oberhofer (H Oberhofer)

ORCID

Publication Activity (10 Years)

Years Active: 2017-2023
Publications (10 Years): 24

Top Venues

The Journal of chemical physics

Journal of chemical theory and computation

Advanced science (Weinheim, Baden-Wurttemberg, Germany)

Chemical reviews

Technische Universität München

Universität Wien (PHD)

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

Affiliation History

Technische Universität München Feb 01 2011

Germany

Group Leader (Habilitand) :: Chemistry

University of Cambridge Feb 01 2008 - Jan 31 2011

United Kingdom

Post Doctoral research associate :: Chemistry

Education History

Universität Wien Oct 01 1999 - Feb 01 2008

Austria

PHD :: Physics

Publications

Marius Schöttle, Thomas Tran, Harald Oberhofer, Markus Retsch
Machine Learning Enabled Image Analysis of Time-Temperature Sensing Colloidal Arrays. Advanced science (Weinheim, Baden-Wurttemberg, Germany) 10 (8) (2023)
Simiam Ghan, Elias Diesen, Christian Kunkel, Karsten Reuter, Harald Oberhofer
Interpreting ultrafast electron transfer on surfaces with a converged first-principles Newns-Anderson chemisorption function. The Journal of chemical physics 158 (23) (2023)
Marius Schöttle, Thomas Tran, Harald Oberhofer, Markus Retsch
Machine Learning Enabled Image Analysis of Time-Temperature Sensing Colloidal Arrays. Advanced science (Weinheim, Baden-Wurttemberg, Germany) (2023)
Marius Schöttle, Thomas Tran, Harald Oberhofer, Markus Retsch
Machine Learning Enabled Image Analysis of Time-Temperature Sensing Colloidal Arrays. Advanced science (Weinheim, Baden-Wurttemberg, Germany) 10 (8) (2023)
Rémi Dupuy, Jakob Filser, Clemens Richter, Robert Seidel, Florian Trinter, Tillmann Buttersack, Christophe Nicolas, John Bozek, Uwe Hergerhahn, Harald Oberhofer, Bernd Winter, Karsten Reuter, Hendrik Bluhm
Photoelectron angular distributions as sensitive probes of surfactant layer structure at the liquid-vapor interface. Physical chemistry chemical physics : PCCP 24 (8) (2022)
Christoph Muschielok, Alexander Reiner, Richard Röß-Ohlenroth, Andreas Kalytta-Mewes, Dirk Volkmer, Achim Wixforth, Harald Oberhofer
Combining Theory and Experiments To Study the Influence of Gas Sorption on the Conductivity Properties of Metal-Organic Frameworks. ACS applied materials & interfaces (2022)
Fabio Calcinelli, Andreas Jeindl, Lukas Hörmann, Simiam Ghan, Harald Oberhofer, Oliver T Hofmann
Interfacial Charge Transfer Influences Thin-Film Polymorphism. The journal of physical chemistry. C, Nanomaterials and interfaces 126 (5) (2022)
Stefan Ringe, Nicolas Georg Hörmann, Harald Oberhofer, Karsten Reuter
Implicit Solvation Methods for Catalysis at Electrified Interfaces. Chemical reviews 122 (12) (2021)
Jakob Filser, Karsten Reuter, Harald Oberhofer
Piecewise Multipole-Expansion Implicit Solvation for Arbitrarily Shaped Molecular Solutes. Journal of chemical theory and computation 18 (1) (2021)
Christian Kunkel, Johannes T Margraf, Ke Chen, Harald Oberhofer, Karsten Reuter
Active discovery of organic semiconductors. Nature communications 12 (1) (2021)
Matthias Kick, Cristina Grosu, Markus Schuderer, Christoph Scheurer, Harald Oberhofer
Mobile Small Polarons Qualitatively Explain Conductivity in Lithium Titanium Oxide Battery Electrodes. The journal of physical chemistry letters 11 (7) (2020)
Annika Stuke, Christian Kunkel, Dorothea Golze, Milica Todorović, Johannes T Margraf, Karsten Reuter, Patrick Rinke, Harald Oberhofer
Atomic structures and orbital energies of 61,489 crystal-forming organic molecules. Scientific data 7 (1) (2020)
Simiam Ghan, Christian Kunkel, Karsten Reuter, Harald Oberhofer
Improved Projection-Operator Diabatization Schemes for the Calculation of Electronic Coupling Values. Journal of chemical theory and computation 16 (12) (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)
Matthias Kick, Karsten Reuter, Harald Oberhofer
Intricacies of DFT+U, Not Only in a Numeric Atom Centered Orbital Framework. Journal of chemical theory and computation 15 (3) (2019)
Christian Kunkel, Christoph Schober, Harald Oberhofer, Karsten Reuter
Knowledge discovery through chemical space networks: the case of organic electronics. Journal of molecular modeling 25 (4) (2019)
Christoph Hille, Stefan Ringe, Martin Deimel, Christian Kunkel, William E Acree, Karsten Reuter, Harald Oberhofer
Generalized molecular solvation in non-aqueous solutions by a single parameter implicit solvation scheme. The Journal of chemical physics 150 (4) (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)
M Kick, Harald Oberhofer
Towards a transferable design of solid-state embedding models on the example of a rutile TiO2 (110) surface. The Journal of chemical physics 151 (18) (2019)
Stefan Ringe, Harald Oberhofer, Karsten Reuter
Transferable ionic parameters for first-principles Poisson-Boltzmann solvation calculations: Neutral solutes in aqueous monovalent salt solutions. The Journal of chemical physics 146 (13) (2018)
Xiayue Li, Farren S Curtis, Timothy Rose, Christoph Schober, Alvaro Vazquez-Mayagoitia, Karsten Reuter, Harald Oberhofer, Noa Marom
Genarris: Random generation of molecular crystal structures and fast screening with a Harris approximation. The Journal of chemical physics 148 (24) (2018)
Karsten Reuter, Craig P Plaisance, Harald Oberhofer, Mie Andersen
Perspective: On the active site model in computational catalyst screening. The Journal of chemical physics 146 (4) (2017)
Markus Sinstein, Christoph Scheurer, Sebastian Matera, Volker Blum, Karsten Reuter, Harald Oberhofer
Efficient Implicit Solvation Method for Full Potential DFT. Journal of chemical theory and computation 13 (11) (2017)
Harald Oberhofer, Karsten Reuter, Jochen Blumberger
Charge Transport in Molecular Materials: An Assessment of Computational Methods. Chemical reviews 117 (15) (2017)

Harald Oberhofer.css-eqlu8i{font-size:small;padding-left:4px;} (H Oberhofer)

Publication Activity (10 Years)

Top Topics

Top Venues

Harald Oberhofer (H Oberhofer)