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Physical Review Letters
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December 9, 2017
Nonadiabatic Vibrational Damping of Molecular Adsorbates: Insights into Electronic Friction and the Role of Electronic Coherence
Simon P Rittmeyer, Jörg Meyer, Karsten Reuter
Journal of Chemical Theory and Computation
|
June 12, 2024
Obtaining Robust Density Functional Tight-Binding Parameters for Solids across the Periodic Table
Mengnan Cui, Karsten Reuter, Johannes T Margraf
Journal of Chemical Theory and Computation
|
December 1, 2023
Ab Initio-Based Modeling of Thermodynamic Cyclic Voltammograms: A Benchmark Study on Ag(100) in Bromide Solutions
Nicolas Bergmann, Nicolas G Hörmann, Karsten Reuter
The Journal of Chemical Physics
|
November 15, 2023
Cavity formation at metal-water interfaces
Thorben Eggert, Nicolas G Hörmann, Karsten Reuter
The Journal of Chemical Physics
|
July 1, 2019
Towards density functional approximations from coupled cluster correlation energy densities
Johannes T Margraf, Christian Kunkel, Karsten Reuter
The Journal of Physical Chemistry Letters
|
November 10, 2015
Interfacial challenges in solid-state Li ion batteries
Alan C Luntz, Johannes Voss, Karsten Reuter
The Journal of Chemical Physics
|
August 2, 2023
q-pac: A Python package for machine learned charge equilibration models
Martin Vondrák, Karsten Reuter, Johannes T Margraf
Nano Letters
|
May 18, 2017
Implications of Occupational Disorder on Ion Mobility in Li<sub>4</sub>Ti<sub>5</sub>O<sub>12</sub> Battery Materials
Hendrik H Heenen, Christoph Scheurer, Karsten Reuter
The Journal of Chemical Physics
|
October 23, 2017
Assessment of mean-field microkinetic models for CO methanation on stepped metal surfaces using accelerated kinetic Monte Carlo
Mie Andersen, Craig P Plaisance, Karsten Reuter
Physical Review Letters
|
May 16, 2007
Towards an exact treatment of exchange and correlation in materials: application to the "CO adsorption puzzle" and other systems
Qing-Miao Hu, Karsten Reuter, Matthias Scheffler
Page
of 18
Search research articles
Search
Showing results (41-50 of 179) with videos related to
Sort By:
Page
of 18
Physical Review Letters
|
December 9, 2017
Nonadiabatic Vibrational Damping of Molecular Adsorbates: Insights into Electronic Friction and the Role of Electronic Coherence
Simon P Rittmeyer, Jörg Meyer, Karsten Reuter
Journal of Chemical Theory and Computation
|
June 12, 2024
Obtaining Robust Density Functional Tight-Binding Parameters for Solids across the Periodic Table
Mengnan Cui, Karsten Reuter, Johannes T Margraf
Journal of Chemical Theory and Computation
|
December 1, 2023
Ab Initio-Based Modeling of Thermodynamic Cyclic Voltammograms: A Benchmark Study on Ag(100) in Bromide Solutions
Nicolas Bergmann, Nicolas G Hörmann, Karsten Reuter
The Journal of Chemical Physics
|
November 15, 2023
Cavity formation at metal-water interfaces
Thorben Eggert, Nicolas G Hörmann, Karsten Reuter
The Journal of Chemical Physics
|
July 1, 2019
Towards density functional approximations from coupled cluster correlation energy densities
Johannes T Margraf, Christian Kunkel, Karsten Reuter
The Journal of Physical Chemistry Letters
|
November 10, 2015
Interfacial challenges in solid-state Li ion batteries
Alan C Luntz, Johannes Voss, Karsten Reuter
The Journal of Chemical Physics
|
August 2, 2023
q-pac: A Python package for machine learned charge equilibration models
Martin Vondrák, Karsten Reuter, Johannes T Margraf
Nano Letters
|
May 18, 2017
Implications of Occupational Disorder on Ion Mobility in Li<sub>4</sub>Ti<sub>5</sub>O<sub>12</sub> Battery Materials
Hendrik H Heenen, Christoph Scheurer, Karsten Reuter
The Journal of Chemical Physics
|
October 23, 2017
Assessment of mean-field microkinetic models for CO methanation on stepped metal surfaces using accelerated kinetic Monte Carlo
Mie Andersen, Craig P Plaisance, Karsten Reuter
Physical Review Letters
|
May 16, 2007
Towards an exact treatment of exchange and correlation in materials: application to the "CO adsorption puzzle" and other systems
Qing-Miao Hu, Karsten Reuter, Matthias Scheffler
Page
of 18