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The Journal of Chemical Physics
|
May 4, 2026
Erasing dielectric breakdown artifacts to machine-learn charged Pt-water interfaces
Nicolas Bergmann, Karsten Reuter, Nicolas G Hörmann
The Journal of Chemical Physics
|
June 4, 2024
Constant potential energetics of metallic and semiconducting electrodes: A benchmark study on 2D materials
Hedda Oschinski, Nicolas Georg Hörmann, Karsten Reuter
Physical Review Letters
|
October 15, 2008
Fingerprints for spin-selection rules in the interaction dynamics of O2 at Al(111)
Christian Carbogno, Jörg Behler, Axel Grob, et al.
The Journal of Chemical Physics
|
October 22, 2025
Coupling all-electron full-potential density functional theory with grid-based continuum embeddings
Jakob Filser, Edan Bainglass, Karsten Reuter, et al.
Journal of Molecular Modeling
|
March 9, 2019
Knowledge discovery through chemical space networks: the case of organic electronics
Christian Kunkel, Christoph Schober, Harald Oberhofer, et al.
Physical Review Letters
|
August 27, 2011
Anomalous scaling in heteroepitaxial island dynamics on Ag(100)
Christopher Zaum, Michael Rieger, Karsten Reuter, et al.
Journal of Chemical Theory and Computation
|
November 10, 2020
Improved Projection-Operator Diabatization Schemes for the Calculation of Electronic Coupling Values
Simiam Ghan, Christian Kunkel, Karsten Reuter, et al.
The Journal of Physical Chemistry. B
|
August 24, 2017
Benchmarks and Dielectric Constants for Reparametrized OPLS and Polarizable Force Field Models of Chlorinated Hydrocarbons
Zhu Liu, Jakob Timmermann, Karsten Reuter, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
April 18, 2015
Postsynthetic Metal and Ligand Exchange in MFU-4l: A Screening Approach toward Functional Metal-Organic Frameworks Comprising Single-Site Active Centers
Dmytro Denysenko, Jelena Jelic, Karsten Reuter, et al.
The Journal of Chemical Physics
|
March 19, 2025
Pareto-based optimization of sparse dynamical systems
Gianmarco Ducci, Maryke Kouyate, Karsten Reuter, et al.
Page
of 18
Search research articles
Search
Showing results (51-60 of 179) with videos related to
Sort By:
Page
of 18
The Journal of Chemical Physics
|
May 4, 2026
Erasing dielectric breakdown artifacts to machine-learn charged Pt-water interfaces
Nicolas Bergmann, Karsten Reuter, Nicolas G Hörmann
The Journal of Chemical Physics
|
June 4, 2024
Constant potential energetics of metallic and semiconducting electrodes: A benchmark study on 2D materials
Hedda Oschinski, Nicolas Georg Hörmann, Karsten Reuter
Physical Review Letters
|
October 15, 2008
Fingerprints for spin-selection rules in the interaction dynamics of O2 at Al(111)
Christian Carbogno, Jörg Behler, Axel Grob, et al.
The Journal of Chemical Physics
|
October 22, 2025
Coupling all-electron full-potential density functional theory with grid-based continuum embeddings
Jakob Filser, Edan Bainglass, Karsten Reuter, et al.
Journal of Molecular Modeling
|
March 9, 2019
Knowledge discovery through chemical space networks: the case of organic electronics
Christian Kunkel, Christoph Schober, Harald Oberhofer, et al.
Physical Review Letters
|
August 27, 2011
Anomalous scaling in heteroepitaxial island dynamics on Ag(100)
Christopher Zaum, Michael Rieger, Karsten Reuter, et al.
Journal of Chemical Theory and Computation
|
November 10, 2020
Improved Projection-Operator Diabatization Schemes for the Calculation of Electronic Coupling Values
Simiam Ghan, Christian Kunkel, Karsten Reuter, et al.
The Journal of Physical Chemistry. B
|
August 24, 2017
Benchmarks and Dielectric Constants for Reparametrized OPLS and Polarizable Force Field Models of Chlorinated Hydrocarbons
Zhu Liu, Jakob Timmermann, Karsten Reuter, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
April 18, 2015
Postsynthetic Metal and Ligand Exchange in MFU-4l: A Screening Approach toward Functional Metal-Organic Frameworks Comprising Single-Site Active Centers
Dmytro Denysenko, Jelena Jelic, Karsten Reuter, et al.
The Journal of Chemical Physics
|
March 19, 2025
Pareto-based optimization of sparse dynamical systems
Gianmarco Ducci, Maryke Kouyate, Karsten Reuter, et al.
Page
of 18