UT Dallas 2023 Graduate Catalog

CHEM5310 - Introduction to Programming for Chemistry

CHEM 5310 Introduction to Programming for Chemistry (3 semester credit hours) This course will introduce chemistry students to basic computer programming concepts, with an emphasis on topics important for chemistry research such as the retrieval, processing, and analysis of chemistry data. The course will primarily use the Python language, due to its availability and current popularity in scientific programming, and a brief overview of other languages will also be included. Students will learn how to programmatically access online chemistry databases such as the Protein Data Bank and retrieve data, and use the numpy, scipy, and sci-kit learn libraries to analyze chemical data sets and train machine-learning models. Instructor consent required. (3-0) R