Physical and Theoretical Chemistry

Computational Chemistry Advances

Focused on algorithmic and software developments, this session highlights breakthroughs in computational chemistry. It will showcase high-performance computing methods for large biomolecules and nanostructures. Machine learning and artificial intelligence integration with molecular modeling will be discussed. Topics include electronic structure calculations, solvation models, and reactive dynamics. Applications range from drug discovery to energy storage materials. The session emphasizes accelerating discovery while reducing experimental costs. Attendees will gain a clear picture of computational strategies shaping chemistry’s future.