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Karsten Reuter

Showing results (21-30 of 179) with videos related to

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The Journal of Chemical Physics|September 15, 2025
On Boltzmann averaging in ab initio thermodynamicsHendrik H Heenen, Karsten Reuter
Nanomaterials (Basel, Switzerland)|September 9, 2022
Exploiting Nanoscale Complexion in LATP Solid-State Electrolyte via Interfacial Mg<sup>2+</sup> DopingSina Stegmaier, Karsten Reuter, Christoph Scheurer
The Journal of Chemical Physics|February 8, 2016
Critical analysis of fragment-orbital DFT schemes for the calculation of electronic coupling valuesChristoph Schober, Karsten Reuter, Harald Oberhofer
Journal of Chemical Theory and Computation|December 22, 2021
Piecewise Multipole-Expansion Implicit Solvation for Arbitrarily Shaped Molecular SolutesJakob Filser, Karsten Reuter, Harald Oberhofer
Physical Review Letters|March 16, 2007
First-principles statistical mechanics study of the stability of a subnanometer thin surface oxide in reactive environments: CO oxidation at Pd(100)Jutta Rogal, Karsten Reuter, Matthias Scheffler
The Journal of Chemical Physics|July 14, 2007
Representing molecule-surface interactions with symmetry-adapted neural networksJörg Behler, Sönke Lorenz, Karsten Reuter
The Journal of Physical Chemistry Letters|September 24, 2016
Virtual Screening for High Carrier Mobility in Organic SemiconductorsChristoph Schober, Karsten Reuter, Harald Oberhofer
Chemical Reviews|June 24, 2017
Charge Transport in Molecular Materials: An Assessment of Computational MethodsHarald Oberhofer, Karsten Reuter, Jochen Blumberger
Chemsuschem|March 16, 2022
Epitaxial Core-Shell Oxide Nanoparticles: First-Principles Evidence for Increased Activity and Stability of Rutile Catalysts for Acidic Oxygen EvolutionYonghyuk Lee, Christoph Scheurer, Karsten Reuter
The Journal of Chemical Physics|April 10, 2017
Transferable ionic parameters for first-principles Poisson-Boltzmann solvation calculations: Neutral solutes in aqueous monovalent salt solutionsStefan Ringe, Harald Oberhofer, Karsten Reuter
Pageof 18

Showing results (21-30 of 179) with videos related to

Sort By:
Pageof 18
The Journal of Chemical Physics|September 15, 2025
On Boltzmann averaging in ab initio thermodynamicsHendrik H Heenen, Karsten Reuter
Nanomaterials (Basel, Switzerland)|September 9, 2022
Exploiting Nanoscale Complexion in LATP Solid-State Electrolyte via Interfacial Mg<sup>2+</sup> DopingSina Stegmaier, Karsten Reuter, Christoph Scheurer
The Journal of Chemical Physics|February 8, 2016
Critical analysis of fragment-orbital DFT schemes for the calculation of electronic coupling valuesChristoph Schober, Karsten Reuter, Harald Oberhofer
Journal of Chemical Theory and Computation|December 22, 2021
Piecewise Multipole-Expansion Implicit Solvation for Arbitrarily Shaped Molecular SolutesJakob Filser, Karsten Reuter, Harald Oberhofer
Physical Review Letters|March 16, 2007
First-principles statistical mechanics study of the stability of a subnanometer thin surface oxide in reactive environments: CO oxidation at Pd(100)Jutta Rogal, Karsten Reuter, Matthias Scheffler
The Journal of Chemical Physics|July 14, 2007
Representing molecule-surface interactions with symmetry-adapted neural networksJörg Behler, Sönke Lorenz, Karsten Reuter
The Journal of Physical Chemistry Letters|September 24, 2016
Virtual Screening for High Carrier Mobility in Organic SemiconductorsChristoph Schober, Karsten Reuter, Harald Oberhofer
Chemical Reviews|June 24, 2017
Charge Transport in Molecular Materials: An Assessment of Computational MethodsHarald Oberhofer, Karsten Reuter, Jochen Blumberger
Chemsuschem|March 16, 2022
Epitaxial Core-Shell Oxide Nanoparticles: First-Principles Evidence for Increased Activity and Stability of Rutile Catalysts for Acidic Oxygen EvolutionYonghyuk Lee, Christoph Scheurer, Karsten Reuter
The Journal of Chemical Physics|April 10, 2017
Transferable ionic parameters for first-principles Poisson-Boltzmann solvation calculations: Neutral solutes in aqueous monovalent salt solutionsStefan Ringe, Harald Oberhofer, Karsten Reuter
Pageof 18