Date & Time |
9 April (Thu), 3:30 pm - 5:00 pm
|
|---|---|
Place |
4F seminar room, Collaborative Res. Bldg.（共同研究棟）, Namiki site
|
Speaker |
Prof. Stefan Goedecker
|
Affiliation |
Department of Physics and Astronomy, University of Basel
|
Title |
Finding the global minimum among zillions of local minima : Methods for global geometry optimization of molecular structures
|
Abstract |
The number of local minima grows exponentially with respect to the number of atoms in a molecule or cluster. Finding the global minimum becomes therefore an extremely difficult task for large systems. I will introduce the Minima Hopping method and explain the ingredients which make it efficient. In particular I will discuss the importance of the Bell-Evan-Polyani principle for global optimization. I will also contrast the minima hopping method with two other widely used global optimization methods, namely genetic algorithms and basin hopping.
|
Contact |
Dr. Yoshitaka Tateyama(館山佳尚) 
|
Finding the global minimum among zillions of local minima : Methods for global geometry optimization of molecular structures
