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Advanced Excited-State Dynamics: From Electronic Structure to Surface Hopping

Density Functional Theory (DFT) Fundamentals → Case Studies in Photochemistry

This path equips graduate students with the theoretical and computational foundations to understand and perform excited-state dynamics simulations, focusing on fewest-switches surface hopping (FSSH), multi-configurational methods like CASSCF, and the role of conical intersections. It bridges quantum chemistry and quantum dynamics, covering essential prerequisites and culminating in practical applications.

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Foundation

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Stage 2

Core Concepts

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Stage 3

Advanced Topics

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Foundation

Core Concepts

Advanced Topics

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