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Explore the intersection of continuum modeling and quantum chemistry in this 50-minute conference talk that examines multi-scale modeling approaches for electrochemical processes. Delve into the theoretical foundations of implicit solvation methods and their application in quantum-chemical simulations of electrocatalysis. Learn how these methods effectively coarse-grain liquid degrees of freedom while preserving essential long-range electrostatic features at the electrified solid-liquid interface. Discover how implicit solvation techniques capture crucial dipole-field interactions governing processes like CO2 reduction and understand their current status as state-of-the-art tools in computational electrochemistry. Examine both the opportunities and challenges in applying these approaches, along with ongoing efforts to refine and optimize multi-scale modeling methods for electrochemical systems. Gain insights into how the electric double layer formation and chemical transformations at interfaces can be described at the quantum-chemical level while maintaining computational efficiency.
