Workshops Using WebMO
Many workshops use WebMO to teach and access computational chemistry programs. A list of upcoming or recent workshops follows:
Online Workshop: Computational Chemistry for Chemistry Educators
Monday, June 13 – Tuesday, June 21, 2022
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 ONLINE at 10:00 AM (Eastern) Monday, June 13 and will finish by ~1:00PM on Tuesday, 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
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. There will be a stipend available for qualified participants who are present for the entire workshop and participate in all surveys.
For further information, contact Dr. Shawn Sendlinger (ssendlin@nccu.edu).
BCCE 2022 Workshop: Computational Chemistry in the Classroom
Biennial Conference on Chemical Education 2022
Purdue University, West Lafayette, IN
Wednesday, August 3, 2022, 2:00-5:15pm, WTHR 360
Implementing computational chemistry in undergraduate and high school classrooms remains challenging and nontrivial for chemical educators at all levels. The goal of this workshop is to remove barriers and empower participants with the tools they need to integrate computational chemistry activities into their classrooms. Through demonstrations and hands-on activities using WebMO, participants will learn how to include computational activities in their curriculum. WebMO is a free/low cost, web-based interface for performing computational chemistry calculations without the need for additional computer hardware or software. Workshop facilitators will provide participants with example activities for use in high school and undergraduate chemistry courses, including exercises for each subfield (organic, physical, inorganic, etc.). Emphasis will be placed on system setup, submitting computations, and interpreting and visualizing results. In addition, practical issues related to working with computation in the classroom will be addressed. A question/answer period with experts will be included. Participants are encouraged to bring a laptop or a smartphone.
Participants must first register for BCCE during which they can register for this workshop.
Participants may also be interested in the following symposia at BCCE:
- Computational Chemistry in the Classroom
Tuesday, 8:00am-12:30pm and 2:00pm-5:15pm, STEW 310 - Using Computational Chemistry to Improve Student Understanding of Chemical Reactions
Thursday, 8:00am-12:30pm, WALC 1132