Zobrazeno 1 - 10
of 44
pro vyhledávání: '"Rudge, Samuel"'
Autor:
Preston, Riley J., Ke, Yaling, Rudge, Samuel L., Hertl, Nils, Borrelli, Raffaele, Maurer, Reinhard J., Thoss, Michael
Nonadiabatic coupling between electrons and molecular motion at metal surfaces leads to energy dissipation and dynamical steering effects during chemical surface dynamics. We present a theoretical approach to the scattering of molecules from metal su
Externí odkaz:
http://arxiv.org/abs/2410.05142
We explore the role of molecular vibrations in the chirality-induced spin selectivity (CISS) effect in the context of charge transport through a molecular nanojunction. We employ a mixed quantum-classical approach that combines Ehrenfest dynamics for
Externí odkaz:
http://arxiv.org/abs/2408.16082
Electronic friction and Langevin dynamics is a popular mixed quantum-classical method for simulating the nonadiabatic dynamics of molecules interacting with metal surfaces, as it can be computationally more efficient than fully quantum approaches. Pr
Externí odkaz:
http://arxiv.org/abs/2406.03329
Autor:
Rudge, Samuel L., Kaspar, Christoph, Grether, Robin L., Wolf, Steffen, Stock, Gerhard, Thoss, Michael
A novel mixed quantum-classical approach to simulating nonadiabatic dynamics of molecules at metal surfaces is presented. The method combines the numerically exact hierarchical equations of motion approach for the quantum electronic degrees of freedo
Externí odkaz:
http://arxiv.org/abs/2402.13161
A new approach to calculating current-induced forces in charge transport through nanosystems is introduced. Starting from the fully quantum mechanical hierarchical equations of motion formalism, a timescale separation between electronic and vibration
Externí odkaz:
http://arxiv.org/abs/2211.14215
Publikováno v:
Journal of Chemical Physics; 5/28/2024, Vol. 160 Issue 20, p1-12, 12p
Publikováno v:
Phys. Rev. B 103, 205408 (2021)
One of the long-standing goals of quantum transport is to use the noise, rather than the average current, for information processing. However, achieving this requires on-demand control of quantum fluctuations in the electric current. In this paper, w
Externí odkaz:
http://arxiv.org/abs/2103.07618
Autor:
Rudge, Samuel L., Kosov, Daniel S.
The fluctuation behavior of triple quantum dots (TQDs) has, so far, largely focused on current cumulants in the long-time limit via full counting statistics. Given that (TQDs) are non-trivial open quantum systems with many interesting features, such
Externí odkaz:
http://arxiv.org/abs/2012.09039
Akademický článek
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Autor:
Rudge, Samuel L., Kosov, Daniel S.
Publikováno v:
Phys. Rev. B 100, 235430 (2019)
Many molecular junctions display stochastic telegraphic switching between two distinct current values, which is therefore an important source of fluctuations in nanoscale quantum transport. We investigate electronic fluctuations arising via Markovian
Externí odkaz:
http://arxiv.org/abs/1909.07052