CHEM 4660/5660:
Introduction to
Computational
Chemistry
To be offered Spring 2005.
For more information, please contact:
Dr.
Angela Wilson
akwilson@unt.edu
(940) 565-4296
COURSE CONTENT*
This course focuses on the use of computers in analyzing both organic
and inorganic substances. We will focus on the use of both basic and advanced
computational methods used in chemistry (otherwise known as "Computational
Chemistry"). We will learn not only about tools that can help us visualize
concepts that are discussed in our coursework, but also about tools that
professional computational chemists use as an aid to experiment such as
Gaussian 98/03 and GAMESS. We will use a variety of computational platforms
ranging from PC's to substantial workstations to supercomputers, and will
become familiar with the UNIX operating system as well as queuing systems.
COURSE GOALS*
(1) To become familiar with a variety of computational chemistry techniques,
including both methods for visualization as well as numerical techniques.
(2) To be able to use computational chemistry techniques as an aid
to experiment.
(3) To be able to determine which computational approach should be
used in various situations
(4) To become proficient in the use of a variety of computer platforms
in chemistry studies.
* Subject to change. More details
will be provided closer to the start of the class.