Workshop: Computational Chemistry for Chemistry Educators

06/17/2019 10:00 - 06/21/2019 12:00 EDT
in person (Muskingum University)
Registration
Registration open date
02/22/2019 09:00 EST
Registration close date
04/26/2019 09:00 EDT
Class size restriction
30 registrants

(0 spots left)

Waitlist

2 registrants

Contact Information
Contact
Shawn Sendlinger
Contact phone
919-530-6297
Contact email
ssendlin@nccu.edu
Trainers
ssendlin, kjc42, metzc, etbell, bradston
Location
Name
Muskingum University
Address
163 Stormont Street
New Concord, OH 43762
Phone
919-530-6297
URL
https://www.muskingum.edu/

This five-day Computational Chemistry for Chemistry Educators (CCCE) summer workshop, offered in collaboration with the Extreme Science and Engineering Discovery Environment (XSEDE, supported by National Science Foundation grant number ACI-1548562), and Muskingum University will begin 10:00 AM Monday, June 17 and will finish by Noon on Friday, June 21. This workshop emphasizes hands-on molecular modeling and other web-based and commercial software important for incorporating computational chemistry into the undergraduate curriculum. No previous experience with molecular modeling is required. A list of topics includes:

Introduction to Computational Chemistry
Basis Sets
Choice of Theoretical Method
Single Point Energies and Geometry Optimizations
Electron Density, Electrostatic Potential, and Reactivity Predictions
Modeling in Solution
Computing Vibrational Frequencies and Thermochemical Properties
Computing UV-Vis and NMR Spectra
Quantitative Structure Activity Relationships (QSAR)
Transition States
Systems Dynamics/Chemical Kinetics

Please note that there is a two-step registration for this workshop; after registering here on the XSEDE portal, you will receive an email with instructions for also registering on the National Computational Science Institute website.

Posted: 02/18/2019 21:33 UTC