Density Functional Theory Overview - 2023 Virtual Winter School in Computational Chemistry

Density Functional Theory Overview - 2023 Virtual Winter School in Computational Chemistry

Explore an in-depth overview of density functional theory (DFT) methods in this lecture by Prof. Martin Head-Gordon from the University of California, Berkeley. Delve into topics such as Jacob's Ladder, delocalization, dispersion, functional design, and combinatorial approaches. Learn about data categories, ingredients, and outcomes in functional development. Examine numerical performance, group data, and potential failure modes. Gain insights into the latest advancements in DFT through this comprehensive presentation, which was part of the Q-Chem Workshop at the 2023 Virtual Winter School in Computational Chemistry.