Willard 160

Heidi Hendrickson, Organizer

Computational chemistry is becoming an increasingly important aspect of chemical education, but instructors often find it difficult to incorporate computation into the existing chemistry curriculum. This symposium is focused on examples of how computational chemistry has been implemented in both the classroom and the laboratory. Talks highlighting computational chemistry integration across the chemistry curriculum are particularly encouraged.

All times are in Eastern Standard Time (EST)

Session 1: Wednesday 1:00 pm - 2:30 pm, Heidi Hendrickson

1:00 PM - 1:05 PM

• Welcome Remarks

1:05 PM - 1:25 PM

• Student explorations of protein ligand interactions: From basic to complex James Foresman

1:25 PM - 1:45PM

• Accessible program for the computational study of amino acids Nathan Tam & Lorena Tribe

1:45 PM - 2:05 PM

• Examining luminescence and proton stability via coordinated computation and experimentation in the undergraduate biochemistry lab Kelly Gallagher

2:05 PM - 2:25 PM

• Discussion

2:25 PM - 2:30 PM

• Closing Remarks

Session 2: Thursday 8:00 am - 9:30 am, Angela Migues

8:00 PM - 8:05 PM

• Opening Remarks

8:05 PM - 8:25 PM

• Teaching coding to experimental chemists Ben Lear

8:25 PM - 8:45PM

• Getting students started with computational chemistry: Demonstrations vs. Hand-on learning Lisa Fredin

8:45 PM - 9:05 PM

• Using molecular computation and visualization to teach chemistry Kevin Range

9:05 PM - 9:25 PM

• Integrating 3D molecular modeling into classrooms: Examples and professional development Jennifer Chambers

9:25 PM - 9:30 PM

• Closing Remarks

Session 3: Thursday 10:30 am - Noon, Lisa Fredin

10:30 PM - 10:35 PM

• Opening Remarks

10:35 PM - 10:55 PM

• Enhancing learning and skill development through applied computational chemistry Adriana Dinescu

10:55 PM - 11:15PM

• Computational chemistry enhanced laboaratory experiments in teh atoms first general chemistry course William Vining

11:15 PM -11:35 PM

• Learning chemical principles with computational chemistry: Computer-based activity using Gaussian and GaussView in general chemistry lab and lecture Hanae Haouari

11:35 PM - 11:55 PM

• Computational chemistry compliments kinetic experiments on the cis-trans isomerization of 4-anilino-4'-nitroazobenzene: A blended lab for use in undergraduate chemistry courses Angela Migues

11:55 PM - 12:00 PM

• Closing Remarks

Session 4: Thursday 1:30 pm - 3:00 pm, Jason Sonnenbeg

1:30 PM - 1:35 PM

• Opening Remarks

1:35 PM - 1:55 PM

• Supplementing the general & organic chemistry with computational mini-projects as an on-ramp to reseearch Dominic Sirianni

1:55 PM - 2:15PM

• Free and low-cost cloud GPU-based computing for exercises in introductory molecular dynamics simulations Matthew Kubasik

2:15 PM - 2:35 PM

• A problem focused approach towards teaching quantum mechanics and theoretical chemistry  Lukas Muechler

2:35 PM - 2:55 PM

• Physical chemistry labs using Google colaboratory: Random walkers and the Ising model Jacob Olshansky

2:55 PM - 3:00 PM

• Closing Remarks

Session 5: Friday 1:30 pm - 3:00 pm, Heidi Hendrickson

1:30 PM - 1:35 PM

• Opening Remarks

1:35 PM - 1:55 PM

• Evolving the chemistry curriculum via computational chemistry Jason Sonnenberg

1:55 PM - 2:15PM

• Two visions of computational chemistry in the undergraduate classroom Edward Brothers

2:15 PM - 2:55 PM

• MoleCVUE panel on computation and visualization in chemistry education: Challenges and strategies for the future

  • Jim Foresman

  • Lisa Fredin

  • Angela Migues

  • Carl Salter

  • Jason Sonnenberg

  • Heidi Hendrickson (moderator)

2:55 PM - 3:00 PM

• Closing Remarks