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Journal of Chemical Theory and Computation
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November 21, 2015
A Coupled Molecular Dynamics/Kinetic Monte Carlo Approach for Protonation Dynamics in Extended Systems
Gabriel Kabbe, Christoph Wehmeyer, Daniel Sebastiani
Physical Chemistry Chemical Physics : PCCP
|
October 19, 2017
Proton mobility in aqueous systems: combining ab initio accuracy with millisecond timescales
Gabriel Kabbe, Christian Dreßler, Daniel Sebastiani
The Journal of Chemical Physics
|
March 23, 2020
Dynamical matrix propagator scheme for large-scale proton dynamics simulations
Christian Dreßler, Gabriel Kabbe, Martin Brehm, et al.
The Journal of Chemical Physics
|
May 3, 2020
Exploring non-equilibrium molecular dynamics of mobile protons in the solid acid CsH<sub>2</sub>PO<sub>4</sub> at the micrometer and microsecond scale
Christian Dreßler, Gabriel Kabbe, Martin Brehm, et al.
The Journal of Chemical Physics
|
November 28, 2012
Foraging on the potential energy surface: a swarm intelligence-based optimizer for molecular geometry
Christoph Wehmeyer, Guido Falk von Rudorff, Sebastian Wolf, et al.
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of 1
Search research articles
Search
Showing results (1-10 of 5) with videos related to
Sort By:
Page
of 1
Journal of Chemical Theory and Computation
|
November 21, 2015
A Coupled Molecular Dynamics/Kinetic Monte Carlo Approach for Protonation Dynamics in Extended Systems
Gabriel Kabbe, Christoph Wehmeyer, Daniel Sebastiani
Physical Chemistry Chemical Physics : PCCP
|
October 19, 2017
Proton mobility in aqueous systems: combining ab initio accuracy with millisecond timescales
Gabriel Kabbe, Christian Dreßler, Daniel Sebastiani
The Journal of Chemical Physics
|
March 23, 2020
Dynamical matrix propagator scheme for large-scale proton dynamics simulations
Christian Dreßler, Gabriel Kabbe, Martin Brehm, et al.
The Journal of Chemical Physics
|
May 3, 2020
Exploring non-equilibrium molecular dynamics of mobile protons in the solid acid CsH<sub>2</sub>PO<sub>4</sub> at the micrometer and microsecond scale
Christian Dreßler, Gabriel Kabbe, Martin Brehm, et al.
The Journal of Chemical Physics
|
November 28, 2012
Foraging on the potential energy surface: a swarm intelligence-based optimizer for molecular geometry
Christoph Wehmeyer, Guido Falk von Rudorff, Sebastian Wolf, et al.
Page
of 1