Zobrazeno 1 - 10
of 430
pro vyhledávání: '"Thoß, Michael"'
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
Semiconductor quantum dot (QD) assemblies are utilized in solar cells and light-harvesting devices because of their distinct physical and optical properties. Recent experiments have successfully synthesized QD molecules, arrays, and assemblies with p
Externí odkaz:
http://arxiv.org/abs/2408.02188
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
A recently developed approach to the thermodynamics of open quantum systems, on the basis of the principle of minimal dissipation, is applied to the spin-boson model. Employing a numerically exact quantum dynamical treatment based on the hierarchical
Externí odkaz:
http://arxiv.org/abs/2404.12118
Autor:
Scognamiglio, Audrey, Thalmann, Karin S., Hartweg, Sebastian, Rendler, Nicolas, Bruder, Lukas, Coto, Pedro B., Thoss, Michael, Stienkemeier, Frank
The ultrafast relaxation dynamics of tetracene following UV excitation to a bright singlet state S6 has been studied with time-resolved photoelectron spectroscopy. With the help of high-level ab-initio multireference perturbation theory calculations,
Externí odkaz:
http://arxiv.org/abs/2404.12092
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
Periodic driving and Floquet engineering have emerged as invaluable tools for controlling and uncovering novel phenomena in quantum systems. In this study, we adopt these methods to manipulate nonequilibrium processes within electronic-vibronic open
Externí odkaz:
http://arxiv.org/abs/2309.05577
Current-induced bond rupture is a fundamental process in nanoelectronic architectures such as molecular junctions and in scanning tunneling microscopy measurements of molecules at surfaces. The understanding of the underlying mechanisms is important
Externí odkaz:
http://arxiv.org/abs/2304.09467