Overview
Syllabus
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
Taught by
nanohubtechtalks