Introduction to Gaussian: Theory and Practice

Ulm, Germany
July 28-31, 2009

Registration Form (right click to download)

Gaussian, Inc., in conjunction with the Center of Excellence (CoE) for Computational Chemistry at the University of Ulm, is pleased to sponsor “Introduction to Gaussian: Theory and Practice.” This workshop will be presented by representatives of Gaussian, Inc. It will take place at the University of Ulm in Ulm, Germany. Instructors will include Dr. Doug Fox and Dr. Hrant Hratchian of Gaussian, Inc.

The workshop will cover the full range of methods available in the Gaussian 09 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.

Topic List:

  • What's New in Gaussian 09
  • 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 the use of a workstation to complete exercises, experiment and/or conduct short research topics. The GaussView 5 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 09 User’s Reference and the Gaussian 09 IOps Reference

Schedule:

  • Classes begin each morning at 9 am.
  • The workshop will begin on Tuesday, July 28.
  • On Friday, the course will end about 3:00 pm.

Social Activities (free):
    Tuesday, 6:00-8:00 pm: Get Together Welcome Party
    Wednesday, 6:00 pm (approx.): Sightseeing Trip to Old Town area of Ulm
    Thursday, 7:00 pm: Workshop Dinner

Poster Session: There will be a poster session for workshop participants beginning Tuesday evening. Posters will remain up all week. 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.

Hotel Accommodations: A list of hotel accommodations in the vicinity of the workshop location is available here. Hotel accommodations will be the responsibility of each participant.

Meals: Lunch is included in the registration fee, as are the Welcome Party and Workshop Dinner. All other meals are the responsibility of each participant.

Registration Deadline: Registration materials and the registration fee must be received by July 21, 2009.

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

 

Last update: 18 September 2012