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The acceptance of molecules as 3D structures led to major advances in chemistry, with quantum mechanics providing the theoretical framework. Early successes, like modeling the neutral H2 molecule, highlighted the need for approximation methods. As challenges grew, accurate molecular calculations increasingly relied on innovative algorithms and expanding computational power, driving the evolution of modern quantum chemistry.

Join Henry F. Schaefer III of the University of Georgia and Gary Patterson of Carnegie Mellon University as we celebrate a century of groundbreaking discoveries—including John Pople’s greatest papers, Werner Heisenberg’s matrix mechanics and Erwin Schrödinger’s wave mechanics—that transformed early quantum theory into the sophisticated discipline of quantum mechanics as we know it today. Register now to immerse yourself in the historic breakthroughs of quantum chemistry before and after computers.

This ACS Webinar is moderated by Carmen J. Giunta of Le Moyne College and co-produced with the ACS Division of the History of Chemistry.

What You Will Learn:

• A personal view of the life and scientific legacy of John Pople
• How quantum mechanics explains molecular structure and how fundamental quantum principles apply to molecular spectra
• How semi-empirical methods can yield practical, reliable results