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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 how DFT computational methods can be applied to understand and model electrochemical systems, bridging theoretical physics with practical electrochemical applications. Discover the fundamental principles of DFT as they relate to electrochemical processes, including electron transfer reactions, surface interactions, and interface phenomena. Gain insights into computational approaches for studying electrochemical systems at the atomic and molecular level, understanding how quantum mechanical calculations can predict and explain electrochemical behavior. Examine the transition from deterministic to stochastic modeling approaches in electrochemistry, learning how DFT serves as a foundation for more complex modeling frameworks. This tutorial is part of IPAM's specialized program on transitioning from deterministic to stochastic interaction modeling in electrochemistry, providing essential background for researchers working at the intersection of computational physics, chemistry, and electrochemical engineering.
