Workshops Using WebMO
Many workshops use WebMO to teach and access computational chemistry programs. A list of upcoming or recent workshops follows:
Online Computational Chemistry for Chemistry Educators Workshop
Monday, June 1 – Wednesday, June 10, 2020
This online 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), will begin 9:00 AM Monday, June 1 and will finish in the afternoon of Wednesday, June 10. 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
A more detailed description of these topics can be found at www.computationalscience.org/ccce/.
Registration for the limited number of seats is open and can be accessed at the XSEDE User Portal. New visitors to this site will need to create an account in order to register. The workshop will provide online, hands-on access to state-of-the-art computational chemistry tools, and will also guide participants to sites where many other useful tools may be downloaded for free.
There is no charge for the workshop. Online presentations and discussion will be conducted via Zoom. Participants will also have access to all course materials via a dedicated Moodle site for the workshop.
For further information, contact Dr. Shawn Sendlinger (firstname.lastname@example.org).