most citedVibrational Instabilities in Charge Transport through Molecular Nanojunctions: The Role of Nonconservative Current-Induced Electronic Forces

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physics.chem-ph2024

Nonadiabatic Dynamics of Molecules Interacting with Metal Surfaces: Extending the Hierarchical Equations of Motion and Langevin Dynamics Approach to Position-Dependent Metal-Molecule Couplings

Martin Mäck, Samuel L. Rudge, Michael Thoss

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 c…