Chemistry 2311

Zachary Knepp & Angela Migues, Organizers,

Implementing computational chemistry in undergraduate and high school classrooms remains challenging for chemical educators at all levels. Organized by the MoleCVUE consortium, this workshop provides participants with tools and experience to support the integration of computational chemistry activities into their curricula. Participants will engage in computer-based demonstrations and hands-on exercises using WebMO, a free, web-based interface for performing computational chemistry calculations without the need for additional hardware or software. Participants will learn how to set up calculations, submit computations, and visualize and interpret results. Facilitators will provide example activities spanning chemical subfields, including organic, physical, and inorganic chemistry, and will address practical considerations for implementing computational chemistry in classroom settings. The workshop includes a question-and-answer session with WebMO experts. Participants will leave with practical strategies and resources for implementation.

Participants are strongly encouraged to bring a laptop or a smartphone.

All times are in Central Daylight Time (CDT)

WebMO server

8:30 AM - 8:50 AM

• Introductory Remarks

• Introduction to WebMO  James Foresman

8:50 AM - 9:05 AM

• Building Molecules - C4H4 activity Heidi Hendrickson

9:05 AM - 9:15 AM

• Prepare for Breakout Sessions

9:15 AM - 10:00 AM

• Breakout Topics:

  • VSEPR (Introductory) Lisa Morkowchuk & Jeanne Berk

  • Solubility (Introductory/Organic) Zachary Knepp

  • Conformational Analysis of Serine (Introductory/Organic/Biochemistry) James Foresman

  • Thermochemistry (Physical) Jason Sonnenberg

10:00 AM - 10:30 AM

• Break

10:30 AM - 10:50 AM

• Exploring Atomic Electron Configurations with WebMO and Gaussian Kevin Range

10:50 AM - 11:00 AM

• Prepare for Breakout Sessions

11:00 AM - 11:45 AM

• Breakout Topics:

  • Deprotonation (Organic) Andrew Walden & Jeanne Berk

  • Bond Stretching (Physical) Carl Salter

  • Group Theory (Inorganic) Kevin Range

  • Choose/Create your own activity MoleCVUE Staff

11:45 AM - 12:00 PM

• Post Workshop Survey

• Closing Remarks