Teaching Electronic Structure Methods in Chemistry Using Simulation Tools in nanoHUB
Offered By: nanohubtechtalks via YouTube
Course Description
Overview
Syllabus
Using nanoHUB for Computational Methods in Chemistry
Nicole Adelstein, Department of Chemistry @ SFSU
nanoHUB for teaching computation
Computational Methods in Chemistry
Computational Methods in Chemistry
Reference Textbooks
Applications of Molecular Mechanics calculations to macromolecules
Electronic Structure and Quantum Properties of atoms, molecules, and solids
Electronic Structure Tutorials
Tutorial 1: Getting to know Nano-Hub and Ab-initio Calculations with H2
Tutorial 1: Click 'Simulate' and the job will start running.
Tutorial 2: Ionization energies and missing correlation with He
Tutorial 4: Normal modes and IR spectroscopy
Tutorials 3 and 6 were run on our Chemistry cluster
Adelstein coding & data science activities at SFSU
Thank you so much!
Questions!
Taught by
nanohubtechtalks
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