Speaker: Dr. Pak-Wing Fok, Mathematics, University of Delaware

Title: Reconstruction of bond potentials from multiple rupturing time data

Abstract: We explore the reconstruction of the functional form of the potential energy surface of a molecular bond from distributions of its rupture times. For a single measured first passage time (FPT) distribution the inverse problem is ill-posed and only a few attributes (such as the height and width of an energy barrier) can be reconstructed. However, reconstruction of finer details of the bond potential can be achieved by simultaneously using two or more measured FPT distributions, obtained under different physical conditions. For example, by changing the potential energy surface by known amounts, the additional FPT distributions render the inverse problem less ill-posed. We demonstrate the feasibility of reconstructing potential with multiple minima, motivate general rules for optimizing the reconstruction, and discuss further applications and extensions.

Time: Friday, Oct. 30, 2009, 1:30-2:30 p.m.

Place: Science and Tech I, Room 242

Department of Mathematical Sciences
George Mason University
4400 University Drive, MS 3F2
Fairfax, VA 22030-4444
http://math.gmu.edu/
Tel. 703-993-1460, Fax. 703-993-1491