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 Shenzhen, China from August 5th through 9th, 2019 at the Peking University Shenzhen Graduate School. The workshop is co-hosted by the Shenzhen Graduate School and Gaussian, Inc. 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. All lectures will be presented in Chinese.
Cost: Academic faculty/staff: $450 per person; Students: $250 per person; Commercial/Government: $600 per person.
The number of participants will be limited. Registration is expected to fill and is on a first-come, first-served basis.
Professor James Foresman (York College, York, PA)
Professor Jiali Gao (Jilin University, Changchun, China and the University of Minnesota, Minneapolis, MN)
Professor Xiaosong Li (University of Washington, Seattle, WA)
Professor Lina Ding (ZhengZhou University, ZhengZhou, China)
Professor Xuefei Xu (Tsinghua University, Beijing, China)
Dr. Lufeng Zou (Gaussian, Inc.)
Dr. Jingjing Zheng (Gaussian, Inc.)
Instructors subject to change without notice.
Outline of Workshop Topics:
- Independent Particle Models
- SCF Convergence and Stability
- Electron Correlation Methods
- Model Chemistry
- Compound Model Chemistries
- Using ONIOM
- 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
- 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, 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.
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.
Hotel Accommodations: Participants must arrange for their own hotel accomodation (costs will be the responsibility of each participant). Following is a partial list of area hotels:
- Jinbaihe Hotel 金百合大酒店(深圳市南山区西丽湖路4038号,野生动物园对面) 86+0755-26626666
- Vienna Hotel 维也纳酒店深圳大学城店(深圳市南山区西丽镇平山村平山一路,哈工大对面) 86+0755-26723888
- Wan Ke Long Hotel万客隆宾馆（深圳市南山区丽水路1048号）86-755-26554888
- Xili Lake Holiday Resort 西丽湖度假村(广东省深圳市南山区西丽湖路4001号) 86-755- 26511888
- Kylin Villa (Grand Hotel） 麒麟山庄(深圳市南山区西丽湖侧沁园路4599号) 86-755-26618888
Meals: Daily tea breaks and lunch 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: 15 October 2018