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Learn density functional theory (DFT) applications in electrochemistry through this comprehensive tutorial presented by Jörg Neugebauer from the Max-Planck-Institut für Eisenforschung at UCLA's Institute for Pure & Applied Mathematics. Explore the fundamental principles of DFT and discover how this computational method can be applied to understand electrochemical processes and interactions. Gain insights into the theoretical framework that bridges quantum mechanics with electrochemical phenomena, examining how DFT calculations can predict and analyze the behavior of electrochemical systems. Understand the computational approaches used to model electrode-electrolyte interfaces, reaction mechanisms, and charge transfer processes in electrochemical environments. This tutorial is part of IPAM's specialized program on transitioning from deterministic to stochastic interaction modeling in electrochemistry, providing essential knowledge for researchers working at the intersection of computational chemistry and electrochemical science.
