Introduction to Computational Chemistry

Offers a guided introduction to Python using a programming environment designed for second-year chemistry undergraduates with no prior experience writing code. Calculus is not required. This course will introduce students to simple Python tools for processing, visualizing, and analyzing chemical data. Additional topics to be covered will include fitting data (linear regression), solving chemical equations using arrays and variables, an introduction to machine learning (supervised and unsupervised), and an introduction to molecular modeling. Students will be introduced to applications of machine learning in materials science and drug discovery.

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