Random structure searching has been proven to be a powerful approach to searching for the global minimum and the metastable structures. We propose the concept of “object” to allow the searching of global minimum for a complicated system. We will examine several representative materials, including C60, solid methanol, high-pressure carbonates (FeCO3), and Si(111)-7×7 reconstructed surface, to demonstrate the power and the advantages of using the “object” concept in random structure searching.
Activity Information
Speaker
Dr. Ching-Ming Wei
Time
10/21 13:30 - 13:45
Location
Humanities and Social Sciences Building (HSSB)
Venue
4F Recreation Hall
Activity Classification
Division
Division of Mathematics and Physical Sciences
Category
Lectures & Symposiums
Target Audience
Age 15 and above
參加須知
Contact
Wen-Hui Chen
2366-8275
