Optima laser control of chemical reactions using automatic differentiation
by
Adel Ben-Haj-Yedder
Ecole Nationale des Ponts et Chaussées (CERMICS)
Coauthors: Eric Cances(enpc.cermics), claude Le Bris (ENPC, Cermics)

The context of this work (under progress) is the optimal control of chemical reactions using tailored laser beams. As a first step towards the treatment of more sophisticated situations, we consider a simple quantum molecular system, and we aim at controlling the alignment of this molecular system with the laser beam.

The problem is formulated as an optimal control problem set on the time-dependent Schrödinger equation. The control is the time-dependent intensity of the laser field interacting with the system. It acts bilinearly on the evolution equation of the state.

Automatic differentiation (ODYSSEE) is used to build the adjoint code, and an optimization algorithm is employed to approach the optimal laser field.

Results of simulation, and various related topics will be discussed. In particular comparison with experiments realized by physicists of our team will be investigated.

This work is a joint work with C. Dion, A. Keller, O. Atabek (Laboratoire de Photophysique Moleculaire, Orsay). It is part of a ÄCI Blanche" project under the auspices of the MENRT, french goverment.

http://cermics.enpc.fr/~benhaj/ad2000/ad2000.ps

Date received: December 15, 1999