CHME 461/561 Computation of Material and Molecular Properties (Fall 2019), 3 credit hours, 10:30-11:45 am MW
Learn the basic principles of computational chemistry including how to compute molecular geometries, energies, transition states, spectra, thermodynamic properties, and many other chemical properties. In the first half of this course, you will learn fundamentals of computational chemistry including background theory and how to perform calculations using quantum chemistry software programs. In the second half of this course, you will select a project topic and perform computations related to this project. You will receive a temporary account on a Linux supercomputing cluster to perform calculations for your project. Towards the end of the course, you will give oral and written reports related to your project. This course is suitable for both undergraduate and graduate engineering students. Also, it counts as an elective course towards the Computational Engineering minor.