Shaping the Laser Control Landscape of a Hydrogen Transfer Reaction by
Vibrational Strong Coupling. A Direct Optimal Control Approach
- URL: http://arxiv.org/abs/2401.01138v1
- Date: Tue, 2 Jan 2024 10:34:49 GMT
- Title: Shaping the Laser Control Landscape of a Hydrogen Transfer Reaction by
Vibrational Strong Coupling. A Direct Optimal Control Approach
- Authors: A. R. Ramos Ramos, E. W. Fischer, P. Saalfrank, O. K\"uhn
- Abstract summary: Simultaneous direct optimal control (SimDOC) theory will be applied to a model system describing H-atom transfer in a lossy Fabry-P'erot cavity.
- Score: 0.0
- License: http://creativecommons.org/licenses/by/4.0/
- Abstract: Controlling molecular reactivity by shaped laser pulses is a long-standing
goal in chemistry. Here we suggest a direct optimal control approach which
combines external pulse optimization with other control parameters arising in
the upcoming field of vibro-polaritonic chemistry, for enhanced controllability
The direct optimal control approach is characterized by a simultaneous
simulation and optimization paradigm, meaning that the equations of motion are
discretized and converted into a set of holonomic constraints for a nonlinear
optimization problem given by the control functional. Compared with indirect
optimal control this procedure offers great flexibility such as final time or
Hamiltonian parameter optimization. Simultaneous direct optimal control
(SimDOC) theory will be applied to a model system describing H-atom transfer in
a lossy Fabry-P\'erot cavity under vibrational strong coupling conditions.
Specifically, optimization of the cavity coupling strength and thus of the
control landscape will be demonstrated.
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