Workshop: 17-21 July 2017 in Nanjing, China

Introduction to Gaussian: Theory and Practice

Gaussian, Inc., in collaboration with Nanjing University, is pleased to announce that the workshop “Introduction to Gaussian: Theory and Practice” will be held at Nanjing University from July 17-21, 2017. Researchers at all levels from academic and industrial sectors are welcome.

The workshop will cover the full range of methods available in the Gaussian 16 package with emphasis on new methods and features which make Gaussian 16 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, and will focus on methods for computing energies, exploring energy landscapes, studying molecular properties, and practical user considerations.

Workshop Details

Instructors: Dr. Douglas Fox (Gaussian, Inc.), Prof. James Foresman (York College of Pennsylvania), Dr. Lufeng Zou (Gaussian, Inc.), and Dr. Jingjing Zheng (Gaussian, Inc.). Instructors subject to change without notice.

Outline of Workshop Topics:

Compute Energies

  • Independent Particle Models
  • SCF Convergence and Stability
  • Electron Correlation Methods
  • Model Chemistry
  • Compound Model Chemistries
  • Using ONIOM
  • Solvation
  • Periodic Boundary Conditions

Explore Energy Landscapes

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

Study Molecular Properties

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

Practical Considerations

  • Basics of Running Gaussian Calculations
  • Output Files
  • Anatomy of a Gaussian Input File
  • Gaussian Utility Programs
  • Computational Considerations
  • DFT Geometries and Frequencies
  • 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 during the daily hands-on sessions. The GaussView 6 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.

Poster Session: There will be a poster session for workshop participants. If you would like to present a poster, indicate this on your registration form. Feel free to present work-in-progress in order to facilitate conversation with instructors and other attendees.

Cost (USD): Academic: $450 per person; Student/Postdoc: $250 per person; Commercial: $600 per person.

Location & Hotel Recommendations: The workshop will be held at Nanjing University, Xianlin Campus, No. 163 Xianlin Avenue, Nanjing, Jiangsu, China. Directions to the campus and a list of recommended hotels are available here. The cost of accommodations will be the responsibility of each participant.

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

Registration Deadline: Registration materials and the registration fee must be received by June 16, 2017. You may register with one of our sales agents using this registration form, or directly with Gaussian, Inc. using this registration form.

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


Last update: 12 April 2017