Gaussian Workshop: Sydney, Australia

A Brief Introduction to Gaussian: Theory and Practice

Gaussian, Inc. is pleased to announce that the workshop “Introduction to Gaussian: Theory and Practice” will be held in Sydney, Australia on October 4-5th, 2019 at the University of Sydney. Researchers at all levels from academic and industrial sectors are welcome.

The two-day workshop will cover a selection of methods available in the Gaussian 16 package with an emphasis on the most widely-used program features. The workshop is structured to provide both lectures as well as a hands-on review for researchers active in the field, and will focus on methods for computing energies, exploring energy landscapes, studying molecular properties, and practical user considerations.

Registration Information

Cost: Academic faculty/staff: $275 per person; Students: $125 per person; Commercial/Government: $375 per person.

Registration materials and the registration fee must be received by September 13, 2019. You may register directly with Gaussian using this registration form.

The number of participants will be limited. Registration is expected to fill and is on a first-come, first-served basis.

Workshop Details

Instructors:

  • Dr. Rika Kobayashi (Australian National University)
  • Professor H. Bernhard Schlegel (Wayne State University)

Instructors subject to change without notice.

 

Outline of Workshop Topics:

Compute Energies

  • Wave Function Theory
  • SCF Convergence and Stability
  • Electron Correlation Methods
  • Model Chemistry
  • Compound Model Chemistries
  • Using ONIOM
  • Solvation

Explore Energy Landscapes

  • Geometry Optimization I: Minimization
  • Geometry Optimization II: Transition structure optimization
  • Reaction Path Following

Study Molecular Properties

  • Wavefunction and Orbital Analysis
  • Vibrational Spectroscopy
  • Optical and UV Spectra

Practical Considerations

  • Basics of Running Gaussian Calculations
  • Output Files
  • Anatomy of a Gaussian Input File
  • Summary of Standard Methods

There will be hands-on sessions each day. Workshop participants will be provided with the 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 be provided a copy of the lecture notes and a copy of Exploring Chemistry with Electronic Structure Methods, 3rd Edition.

Meals: Daily coffee breaks will be provided. All other meals will be the responsibility of each participant.

For further details and application procedures, contact the Workshop Coordinator at Gaussian, Inc.

 


Last update: 11 July 2019