Control of Quantum and Classical Molecular Dynamics
| Authors: | Ananyevskiy Mikhail, St.Petersburg State University, Russian Federation
Efimov Alexander, St.Petersburg State University, Russian Federation
Fradkov Alexander, Institute for Problems of Mechanical Engineering., Russian Federation |
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| Topic: | 2.3 Non-Linear Control Systems |
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| Session: | Nonlinear Control in Physics and Mechanics |
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| Keywords: | Energy control, Speed gradient, Quantum mechanics, Nonlinear control, molecular |
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Abstract
Two examples of application of nonlinear control methods to control of molecular motion are studied. The problem of controlling quantum observables for a finite dimensional model of a diatomic molecule is examined and a new control law is obtained based on speed-gradient approach. A substantial domain of initial conditions in the phase space ensuring achievement of the control goal is determined. The results are illustrated by the numerical example for HF molecule. An approach to dissociation control of a 3-atomic molecules with straight valence angle is proposed based on speed-gradient method. A connection between dissociation and synchronization of bond dynamics are analyzed by computer simulations for HCN molecule. The presented problems and their solutions demonstrate a broad range and prospects of potential applications of nonlinear control methods to control of molecular systems.
