Simultaneous direct optimal control : a versatile approach for steering quantum molecular dynamics

Alejandro Rubenovich Ramos Ramos

doi:10.18453/rosdok_id00004776

Alejandro Rubenovich Ramos Ramos

Simultaneous direct optimal control : a versatile approach for steering quantum molecular dynamics

Universität Rostock, 18. März 2024

https://doi.org/10.18453/rosdok_id00004776

Abstract: Controlling molecular processes by shaped laser pulses is a long-standing goal in Molecular Physics and Chemistry. Here, we suggest a direct optimal control approach based on a simultaneous simulation and optimization paradigm. This approach uses automatic differentiation, offering as advantages final time and model parameter optimization, as well as a wide range of terms in the performance functional and constraints that could be easily implemented in a plug-and-play fashion. The advantages of this approach will be showcased for diverse molecular model systems.

Dissertation Freier Zugang

Titel:

Simultaneous direct optimal control: a versatile approach for steering quantum molecular dynamics

Beteiligte Personen:

Alejandro Rubenovich Ramos Ramos[VerfasserIn]
	0009-0002-0922-1996
	1365099962
Oliver Kühn[AkademischeR BetreuerIn]
	0000-0002-5132-2961
	141056487
	University of Rostock
Jean Christophe Tremblay[AkademischeR BetreuerIn]
	0000-0001-8021-7063
	1167532341
	University of Lorraine

Beteiligte Körperschaften:

Universität Rostock[Grad-verleihende Institution]
	38329-6
Universität Rostock. Mathematisch-Naturwissenschaftliche Fakultät[Grad-verleihende Institution]
	2147083-2

Zusammenfassung:

Controlling molecular processes by shaped laser pulses is a long-standing goal in Molecular Physics and Chemistry. Here, we suggest a direct optimal control approach based on a simultaneous simulation and optimization paradigm. This approach uses automatic differentiation, offering as advantages final time and model parameter optimization, as well as a wide range of terms in the performance functional and constraints that could be easily implemented in a plug-and-play fashion. The advantages of this approach will be showcased for diverse molecular model systems. [Englisch]

Dokumenttyp:

Dissertation

institution:

Mathematisch-Naturwissenschaftliche Fakultät

language:

Englisch

subject class (DDC):

530 Physik

540 Chemie

extent:

1 Online-Ressource (V, 89 Seiten)

publication /
production: