Many essential properties of atoms, molecules and materials stem from their quantum mechanical nature. In this course, we will focus on the quantum mechanical aspects of physical chemistry. The basic principles of quantum mechanics will be introduced in tandem with the chemical concepts covered. We will describe the quantum mechanics of molecular bonding, vibrations and rotations. The fundamentals of molecular spectroscopy and photophysics will be seen in the light of quantum mechanics. We will end the course by introducing what goes behind the sciences in quantum chemistry packages for calculating molecular electronic structure and molecular properties. This year, the course will employ online forums for student discussions and turning in homework assignments. Most of the materials for evaluation will be take-home team programming exercises written in interactive Phython (iPhython). There will be no final exam. Prerequisites: Applied Mathematics 21a and 21b, Mathematics 21a and 21b, or equivalent preparation in calculus and differential equations; Physical Sciences 1 or equivalent preparation in chemical bonding and fundamental principles; Physical Sciences 2 or Physics 11a, and Physical Sciences 3 or Physics 11b.
You should have taken at least one college-level chemistry course, and two semesters of college-level calculus. Enthusiastic and hard-working high school students should have taken AP Chemistry and Calculus BC, or IB Math and Chemistry HL courses.
Alan is a professor of chemistry at Harvard University. His group researches quantum computation, energy and charge transfer in photosynthesis, and electronic structure theory. Alan also leads the Harvard Clean Energy Project. He is the winner of the 2013 ACS Early Career Award in Theoretical Chemistry.
No. All the material you will need is contained within the course.
This is a shorter module, designed to be completed in about 5 weeks.