סמינר בכימיה פיזיקלית: Exploiting memory in chemical systems: from electron and energy transfer to biomolecular dynamics using memory kernels

Zoom: https://us02web.zoom.us/j/87075995730?pwd=RWNJSDMvN3RJaEpPeXRoZkFnZzExQT09

Abstract:

Elucidating the impact of dissipation is essential for understanding and predicting processes as diverse as energy harvesting in photosynthetic systems, electrical transport at the nanoscale, and decoherence in quantum computing devices. Here, I will show how memory kernels, which lie at the heart of generalized master equations, provide an ideal theoretical and interpretational tool to understand these processes and efficiently simulate them. I will then demonstrate that this formalism can be used to improve the efficiency and accuracy of quantum-classical approaches to simulate the dynamics of charge and energy transfer in the condensed phase and our recent efforts to extend this versatile theoretical framework to processes occurring at electrode surfaces.