PSU Mark
Eberly College of Science Mathematics Department

Meeting Details

For more information about this meeting, contact Victor Nistor, Stephanie Zerby, Mark Levi, Jinchao Xu.

Title:How to search for transition states/saddle points?
Seminar:CCMA Luncheon Seminar
Speaker:Qiang Du, Pennsylvania State University, Mathematics
Exploring complex energy landscape is a challenging issue in many applications. Besides locating equilibrium states, it is often also important to identify the transition states given by saddle points. In this talk, we will discuss the mathematics and algorithms, in particular, the shrinking dimer dynamics, developed to compute transition states. Some applications will be considered, including the study of critical nuclei morphology in solid state transformations, optimal photonic crystal design and the generalized Thomson problem.

Room Reservation Information

Room Number:MB114
Date:01 / 18 / 2013
Time:12:20pm - 01:30pm