NanoHUB Jupyter Notebooks for Research and Education in Chemistry

Explore the potential of nanoHUB Jupyter Notebooks for research and education in this 34-minute presentation by Prof. Michael Reppert from Purdue University. Learn about the advantages of using Jupyter Notebooks on nanoHUB for creating interactive applications in chemistry education. Discover various examples of notebooks developed for teaching chemistry, including a lattice protein simulator, probability app, and molecular spectroscopy tools. Gain insights into the benefits of using nanoHUB for research computing and overcoming limitations in scientific software adoption. Watch demonstrations of practical applications like the CHM372 Probability App and Photosynthetic Protein Spectroscopy Lab. Get guidance on getting started with nanoHUB Jupyter Notebooks, including tool usage, app anatomy, and GitHub integration. Understand advanced concepts like front-end/back-end projects and data storage considerations. This comprehensive overview provides valuable information for educators and researchers interested in leveraging Jupyter Notebooks for chemistry education and scientific computing on the nanoHUB platform.

NanoHUB Jupyter Notebooks for Research and Education
What is a Jupyter Notebook?
Why Notebooks on nanoHUB?
Education & Outreach
CHM 372: Lattice Protein Simulator
CHM 370: Physical Chemstry Lab Analysis and Visualization
CHM 676: Graduate Molecular Spectroscopy
Science Outreach: Protein Structure Lab
Research Computing
What limits widespread adoption of scientific software packages?
Application Example: PigmentHunter
Automated structure preparation
Excitonic Simulations
Demo: CHM372 Probability App
Demo: Photosynthetic Protein Spectroscopy Lab
Getting Started
The Jupyter Notebook Tool
The Jupyter Notebook Tool
The Jupyter Notebook Tool
Getting Started: Anatomy of a nanoHUB App
Getting Started: Using GitHub
Getting Started: Using GitHub
Getting Started: Using GitHub
Getting Started: Using GitHub
Advanced: Front-end/Back-end Projects
A word of caution: Data storage
Conclusions