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Research Computing
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NanoHUB Jupyter Notebooks for Research and Education in Chemistry
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- 1 NanoHUB Jupyter Notebooks for Research and Education
- 2 What is a Jupyter Notebook?
- 3 Why Notebooks on nanoHUB?
- 4 Education & Outreach
- 5 CHM 372: Lattice Protein Simulator
- 6 CHM 370: Physical Chemstry Lab Analysis and Visualization
- 7 CHM 676: Graduate Molecular Spectroscopy
- 8 Science Outreach: Protein Structure Lab
- 9 Research Computing
- 10 What limits widespread adoption of scientific software packages?
- 11 Application Example: PigmentHunter
- 12 Automated structure preparation
- 13 Excitonic Simulations
- 14 Demo: CHM372 Probability App
- 15 Demo: Photosynthetic Protein Spectroscopy Lab
- 16 Getting Started
- 17 The Jupyter Notebook Tool
- 18 The Jupyter Notebook Tool
- 19 The Jupyter Notebook Tool
- 20 Getting Started: Anatomy of a nanoHUB App
- 21 Getting Started: Using GitHub
- 22 Getting Started: Using GitHub
- 23 Getting Started: Using GitHub
- 24 Getting Started: Using GitHub
- 25 Advanced: Front-end/Back-end Projects
- 26 A word of caution: Data storage
- 27 Conclusions
