Dr. Reppert will discuss his use of nanoHUB Jupyter Notebook-based content in college Chemistry courses, focusing on nanoHUB's unique possibilities for hands-on simulation, visualization, and programming projects. As examples, he will describe three specific applications of nanoHUB content to courses at Purdue:

• A stand-alone Lattice Protein simulation and visualization app used to illustrate statistical mechanics and protein-folding concepts in CHM 372 (Physical Chemistry for life science students): https://nanohub.org/tools/latticeprotein
• A nanoHUB-hosted home page for a Physical Chemistry laboratory (CHM 37301), which students use both to access lab instructions, to learn basic Python programming, and to process and visualize their experimental data: https://nanohub.org/tools/chm37301
• A nanoHUB-hosted home page for a graduate Molecular Spectroscopy course, that guides students through advanced molecular and electrodynamics simulations as a means to visualize spectroscopic processes and learn the Python programming skills necessary to run molecular simulations and process spectroscopic data: https://nanohub.org/tools/molspec/

He will close with a few tips for educators interested in getting started with nanoHUB-hosted content in their courses.

A Kansas native, Mike completed his BS at Kansas State University in 2009 in Chemistry, Biochemistry, and Math. It was also at Kansas State (during four years of undergrad research) where he became fascinated by the molecular mechanisms of photosynthesis. After a year of Fulbright research at the Polish Academy of Sciences in Warsaw, Poland, he went on to work in 2D IR spectroscopy and peptide structural analysis with Andrei Tokmakoff at the Massachusetts Institute of Technology and the University of Chicago. After obtaining his PhD in 2016, he worked as a Banting Scholar with Professor Paul Brumer at the Chemical Physics Theory group of the University of Toronto, investigating the importance—or nonimportance—of quantum effects in biological light harvesting. In summer 2019, he moved to Purdue to begin his own research group in Physical Chemistry, working to develop both experimental and computational tools to quantitatively understand structure/spectrum relationships in biomacromolecules, particularly photosynthetic proteins.

Network for Computational Nanotechnology (NCN)

Researchers should cite this work as follows:

• Michael Earl Reppert (2022), "Hands-on Teaching with Jupyter Notebooks on nanoHUB," https://nanohub.org/resources/36471.

  BibTex | EndNote

1. 2D Lattice Protein Simulator
2. chemistry
3. hands on
4. Jupyter notebooks
5. Lattice Protein
6. Molecular Spectroscopy Tool
7. physical chemistry
8. Physical Chemistry Laboratory (CHM 37301)
9. Protein
10. protein folding
11. python
12. Simulation
13. teaching and learning
14. visualization