Physical and Theoretical Chemistry

Quantum Chemistry and Molecular Modeling

This session explores the foundations of quantum mechanics as applied to chemical systems, advancing theoretical insights into electronic structures. It will discuss modern computational algorithms that allow high-accuracy predictions of chemical properties. Attendees will learn about density functional theory, ab initio methods, and hybrid models. The session emphasizes molecular simulations in predicting reactivity, stability, and energy landscapes. Applications in catalysis, drug design, and materials research will be highlighted. Emphasis will also be on bridging theory with experimental spectroscopy. This track provides an essential foundation for modern chemical innovation.