Workshop: 1-2 August 2017 in Reading, Pennsylvania

Using Gaussian in Undergraduate Education

Gaussian, Inc., in collaboration with MoleCVUE and Professor Lorena Tribe at Penn State Berks, is pleased to announce that the workshop “Using Gaussian in Undergraduate Education” will be held in Reading, Pennsylvania at the Penn State Berks campus from August 1-2, 2017. 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: Dr. Jason Sonnenberg (Gaussian, Inc.) and Prof. Jim Foresman (York College of PA). Instructors subject to change without notice.

Outline of Workshop Topics:

Compute Energies

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

Explore Energy Landscapes

  • Geometry Optimization I: Reactants and Products
  • Geometry Optimization II: Transition States
  • Reaction Path Following

Study Molecular Properties

  • Wavefunction and Orbital Analysis
  • Vibrational Spectroscopy
  • NMR and Magnetic Properties
  • Optical and UV Spectra

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 in the Chemistry Department at Penn State Berks. The recommended hotel is the Reading/Wyomissing Fairfield Inn and Suites. Workshop participants should just call and ask for the Gaussian Workshop for Educators rate of $109 per night plus taxes.

Meals: Daily 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 July 21, 2017. 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: 27 June 2017