Skip to main content

Topology of classical molecular optimal control landscapes in phase space

Author(s): Joe-Wong, Carlee; Ho, Tak-San; Long, Ruixing; Rabitz, Herschel; Wu, Rebing

Download
To refer to this page use: http://arks.princeton.edu/ark:/88435/pr1jn6x
Full metadata record
DC FieldValueLanguage
dc.contributor.authorJoe-Wong, Carlee-
dc.contributor.authorHo, Tak-San-
dc.contributor.authorLong, Ruixing-
dc.contributor.authorRabitz, Herschel-
dc.contributor.authorWu, Rebing-
dc.date.accessioned2020-10-30T18:35:52Z-
dc.date.available2020-10-30T18:35:52Z-
dc.date.issued2013-03-28en_US
dc.identifier.citationJoe-Wong, Carlee, Ho, Tak-San, Long, Ruixing, Rabitz, Herschel, Wu, Rebing. (2013). Topology of classical molecular optimal control landscapes in phase space. JOURNAL OF CHEMICAL PHYSICS, 138 (10.1063/1.4797498en_US
dc.identifier.issn0021-9606-
dc.identifier.urihttp://arks.princeton.edu/ark:/88435/pr1jn6x-
dc.description.abstractOptimal control of molecular dynamics is commonly expressed from a quantum mechanical perspective. However, in most contexts the preponderance of molecular dynamics studies utilize classical mechanical models. This paper treats laser-driven optimal control of molecular dynamics in a classical framework. We consider the objective of steering a molecular system from an initial point in phase space to a target point, subject to the dynamic constraint of Hamilton’s equations. The classical control landscape corresponding to this objective is a functional of the control field, and the topology of the landscape is analyzed through its gradient and Hessian with respect to the control. Under specific assumptions on the regularity of the control fields, the classical control landscape is found to be free of traps that could hinder reaching the objective. The Hessian associated with an optimal control field is shown to have finite rank, indicating the presence of an inherent degree of robustness to control noise. Extensive numerical simulations are performed to illustrate the theoretical principles on (a) a model diatomic molecule, (b) two coupled Morse oscillators, and (c) a chaotic system with a coupled quartic oscillator, confirming the absence of traps in the classical control landscape. We compare the classical formulation with the mathematically analogous quantum state-to-state transition probability control landscape. (C) 2013 American Institute of Physics. [http://dx.doi.org/10.1063/1.4797498]en_US
dc.format.extent124114-1 - 124114 -16en_US
dc.language.isoen_USen_US
dc.relation.ispartofJOURNAL OF CHEMICAL PHYSICSen_US
dc.rightsFinal published version. Article is made available in OAR by the publisher's permission or policy.en_US
dc.titleTopology of classical molecular optimal control landscapes in phase spaceen_US
dc.typeJournal Articleen_US
dc.identifier.doidoi:10.1063/1.4797498-
dc.date.eissued2013-3-29en_US
pu.type.symplectichttp://www.symplectic.co.uk/publications/atom-terms/1.0/journal-articleen_US

Files in This Item:
File Description SizeFormat 
1.4797498.pdf1.15 MBAdobe PDFView/Download


Items in OAR@Princeton are protected by copyright, with all rights reserved, unless otherwise indicated.