Greg Tschumper, associate professor of chemistry and biochemistry will be the speaker for November’s Oxford Science Cafe on Tuesday, November 20 at Lusa Pastry Cafe. Dr. Tschumper’s topic is, “Chemistry without Chemicals: An Introduction to Computational Quantum Chemistry.
Computational quantum chemistry utilizes physics, mathematics, and high performance computing rather than laboratory experiments to study the chemistry of molecules. Quantum mechanics, rather than classical mechanics, is required to correctly describe the behavior of electrons. As such, Newton’s equations of motion are effectively replaced with the electronic Schrödinger equation for atoms and molecules. Solutions to the Schrödinger equation tell us about the electrons in an atom or molecule and, thereby, provide insight into the chemistry, in much the same way that computers can provide solutions to Newton’s equations of motion in order to predict the trajectory of a projectile.
November 20, 2012, Lusa Pastry Café, 6pm – 7pm.