Objectives: Chemistry 1460, Introduction to Scientific Computing



This class will cover several computational methods that are important in chemistry and other sciences.  The students will use the Mathcad computer language in several assignments designed to illustrate the basics of programming, and how key algorithms work.  They will also make use of commercial simulations software for characterizing molecules and for the behavior of systems at finite temperature.  There will be six guest lectures to expose the students to the use of computer modeling and simulations in a wide variety of research areas.