| 2025 | Rudolf Smorka, Samuel L. Rudge, and Michael Thoss: Influence of nonequilibrium vibrational dynamics on spin selectivity in chiral molecular junctions. In: Journal of Chemical Physics, 162, 2025, 014304 |
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| 2025 | Riley J. Preston, Yaling Ke, Samuel L. Rudge, Nils Hertl, Raffaele Borrelli, Reinhard J. Maurer, and Michael Thoss: Nonadiabatic Quantum Dynamics of Molecules Scattering from Metal Surfaces. In: Journal of Chemical Theory and Computation, 21, 2025, 1054 - 1063 |
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| 2025 | Martin Mäck, Michael Thoss, Samuel L. Rudge: Nonadiabatic dynamics of molecules interacting with metal surfaces: Extending the hierarchical equations of motion and Langevin dynamics approach to position-dependent metal–molecule couplings. In: Journal of Chemical Physics, 161, 2025, 064106 |
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| 2024 | Hideaki Takahashi, Samuel Rudge, Christoph Kaspar, Michael Thoss, Raffaele Borrelli: High accuracy exponential decomposition of bath correlation functions for arbitrary and structured spectral densities: Emerging methodologies and new approaches. In: The Journal of Chemical Physics, 160, 2024, 204105 |
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| 2024 | Samuel L. Rudge, Christoph Kaspar, Robin L. Grether, Steffen Wolf, Gerhard Stock, Michael Thoss Nonadiabatic dynamics of molecules interacting with metal surfaces: A quantum–classical approach based on Langevin dynamics and the hierarchical equations of motion. In: The Journal of Chemical Physics, 160, 2024, 184106 |
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| 2023 | Samuel L. Rudge, Yaling Ke, and Michael Thoss: Current-induced forces in nanosystems: A hierarchical equations of motion approach. In: Physical Review B, 107, 2023, |
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