Summer Workshop: Computational Chemistry for Chemistry Educators

Offered by The National Computational Science Institute At The University of Pittsburgh

There are a few remaining slots for Pitt grad students and postdocs. Please respond ASAP if you are interested in attending!

The National Computational Science Institute is offering a five-day summer workshop entitled Computational Chemistry for Chemistry Educators. The workshop will begin 10AM Monday, June 11 and will finish Friday afternoon, June 15. 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:

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

More detailed description of these topics can be found at

Registration for the limited number of seats is open and can be accessed at New visitors to this site will need to create an account in order to register.

There is no charge for the workshop. A limited number of travel scholarships are available to faculty interested in attending the workshop. The scholarships will provide partial or full reimbursement of travel costs to and from the workshop and/or local housing costs.  Preference will be given to faculty from institutions that are formally engaged with the XSEDE education program and to those who can provide some matching travel funds. Recipients are expected to be present for the full workshop. Those interested in a travel scholarship should complete the scholarship application, which can be submitted after you apply for the workshop and is available from the page where you review your application. Dorm rooms are available ($40/night double occupancy and $55/night single occupancy including linens) for participants desiring to stay on campus. Participants are responsible for meals and transportation costs to and from the University of Pittsburgh.

For further information, contact Dr. Shawn Sendlinger (, Dr. Lisa Bell-Loncella (, or Dr. Clyde Metz (