Introduction to Computational Chemistry
This short course introduces students to essential software tools used in computational chemistry. Through hands-on training, students will learn to draw chemical structures using ChemDraw, perform quantum chemical calculations with Gaussian, and analyze data using Origin. The course emphasizes practical workflows, from molecule creation to data visualization, making it ideal for chemistry students and researchers aiming to integrate computational methods into their work.
Duration: 4 weeks | Level: Beginner–Intermediate
Tools Covered: ChemDraw, Gaussian, Origin
Format: Lectures, demonstrations
This short course introduces students to essential software tools used in computational chemistry. Through hands-on training, students will learn to draw chemical structures using ChemDraw, perform quantum chemical calculations with Gaussian, and analyze data using Origin. The course emphasizes practical workflows, from molecule creation to data visualization, making it ideal for chemistry students and researchers aiming to integrate computational methods into their work.
Duration: 4 weeks | Level: Beginner–Intermediate
Tools Covered: ChemDraw, Gaussian, Origin
Format: Lectures, demonstrations
Course Outcome:
By the end of this course, students will be able to:
- Draw and edit chemical structures professionally using ChemDraw
- Set up and run basic computational simulations in Gaussian
- Analyze and visualize chemical data using Origin
- Understand the full workflow from molecule design to data presentation
- Foundations of Computational Chemistry & ChemDraw Unlimited
- Preparing Molecular Inputs for Simulation (ChemDraw + GaussView) Unlimited
- Running and Interpreting Gaussian Simulations Unlimited
- Data Visualization and Analysis with Origin Unlimited