Workshop: 1-2 May 2018 (Ypsilanti, MI): Using Gaussian in Undergraduate Education

Using Gaussian in Undergraduate Education

Gaussian, Inc., in collaboration with MoleCVUE and Professor Maria Milletti at Eastern Michigan University, is pleased to announce that the workshop “Using Gaussian in Undergraduate Education” will be held in Ypsilanti, Michigan at the Eastern Michigan University campus from May 1-2, 2018. Educators at all levels are welcome.

The workshop will cover selected methods available in the Gaussian 16 package with emphasis on features making Gaussian 16 applicable to undergraduate educational activities. The workshop is structured to provide an introduction to electronic structure theory as well as a hands-on review for educators active in the field. The content focuses on methods for computing energies, exploring energy landscapes, studying molecular properties, and practical user considerations.

Workshop Details

Instructors: Prof. H. Bernhard Schlegel (Wayne State U.) and Dr. Jason L. Sonnenberg (Gaussian, Inc.). Instructors subject to change without notice.

Outline of Workshop Topics:

Compute Energies

  • Independent Particle Models
  • Electron Correlation Methods
  • Model Chemistry
  • Composite Model Chemistries
  • Using ONIOM
  • Solvation

Explore Energy Landscapes

  • Optimizing Reactants and Products
  • Optimizing Transition States
  • Reaction Path Following

Study Molecular Properties

  • Wavefunction and Orbital Analysis
  • Vibrational Spectroscopy
  • NMR spectroscopy

Practical Considerations

  • Designing Computational Experiments
  • Basics of Running Gaussian Calculations
  • Anatomy of a Gaussian Input File
  • Output Files
  • Gaussian Utility Programs

There will be two hands-on sessions each day. Each workshop participant will be provided a copy of the lecture slides and a copy of Exploring Chemistry with Electronic Structure Methods, 3rd Edition.

Cost (USD): $50 per person

Location & Lodging: The workshop will be held from 8 am until 5 pm in the Halle Library at Eastern Michigan University. Lodging is the responsibility of each participant. Recommended hotels are the Marriott at Eagle Crest and the Ann Arbor Regent.

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

Registration Deadline: Registration materials and the registration fee must be received by April 16, 2018. Please complete and return the registration form to Gaussian, Inc. or to a Gaussian sales agent.

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

Last update: 26 February 2018