Overview

Instructor(s): Xin Yang

Time: Friday, February 25, 2022 — 1:30PM-4:00PM CT

Location: Blocker 220 and online using Zoom

Prerequisite(s): Active HPRC account, Introduction to Quantum Chemistry Simulations with ORCA

Covers reaction mechanism studies using quantum chemistry simulations. Hands-on exercises will include performing transition state searches and predicting the Kinetic Isotope Effect (KIE) using ORCA.

Users will need an SU balance of at least 30 to run exercises.

A Registration button will appear here when registration has been opened.

Course Materials

• Presentation Slides (Fall 2021):

Agenda

This course focuses on the following topics:

[coming soon]