Gaussian Event
Introduction to Gaussian: Theory and Practice
University of Sydney, September 9 - 12, 2008
This workshop will be presented by representatives of Gaussian, Inc. and will take place at the University of Sydney. It has been scheduled immediately prior to the 8th Triennial WATOC.
The workshop will cover the full range of methods available in the Gaussian 03 package with emphasis on new methods and features which make Gaussian applicable to an ever widening spectrum of research applications. The workshop is structured to provide an introduction to electronic structure theory as well as a hands-on review for researchers active in the field. It is open to researchers at all levels of academic, government and industrial research.
Tentative Topic List:
- Introduction to Electronic Structure Theory
- Independent Particle Methods
- Model Chemistries: A Framework for Understanding Electronic Structure Theory Results
- Using ONIOM
- MCSCF Methods and Applications
- Geometry Optimization Techniques
- Electron Correlation Methods
- Density Functional Theory Methods
- Methods for Excited Electronic States
- Interpretation of Gaussian Results
- Prediction of Molecular Properties
- Solvent Effects via Electronic Structure Methods
- Estimating Resource Requirements
There will be hands-on sessions each day between the morning and afternoon lectures. Workshop participants will be provided with use of a workstation to complete exercises, experiment and/or conduct short research topics. The GaussView user interface will be used to perform visualization of results and to facilitate calculation setup.
Each workshop participant will also be provided a copy of the lecture notes, a copy of Exploring Chemistry with Electronic Structure Methods (2nd. Ed.) and a copy of the Gaussian 03 User’s Reference.
Poster Session: There will be a poster session for workshop participants, during the workshop. If you would like to present a poster, indicate this on your registration form.
Cost: Academic: USD $450.00 per person; Commercial: USD $600.00 per person.
Registration Deadline: Registration materials and the registration fee must be received by August 11, 2008.