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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…

Quantum Physics · Physics 2024-01-03 A. R. Ramos Ramos , E. W. Fischer , P. Saalfrank , O. Kühn

The manipulation of small objects with light has become an indispensable tool in many areas of research ranging from physics to biology and medicine. Here we demonstrate how to implement micro-manipulation at the optimal level of efficiency…

In this paper, an optimal control problem is considered where a target vehicle aims to reach a desired location in minimum time while avoiding a dynamic engagement zone. Using simple motion, four potential approaches are considered. First,…

Optimization and Control · Mathematics 2021-11-18 Isaac E. Weintraub , Alexander Von Moll , Christian Carrizales , Nicholas Hanlon , Zachariah Fuchs

We derive the explicit solution of the problem of time-optimal control by a common magnetic fields for two independent spin-$\frac{1}{2}$ particles. Our approach is based on the Pontryagin Maximum Principle and a novel symmetry reduction…

Quantum Physics · Physics 2018-12-12 Yunlan Ji , Ji Bian , Min Jiang , Domenico D'Alessandro , Xinhua Peng

A theory of dynamical control by modulation for optimal decoherence reduction is developed. It is based on the non-Markovian Euler-Lagrange equation for the energy-constrained field that minimizes the average dephasing rate of a qubit for…

Quantum Physics · Physics 2008-08-14 Goren Gordon , Gershon Kurizki , Daniel A. Lidar

The problem of constrained coverage path planning involves a robot trying to cover maximum area of an environment under some constraints that appear as obstacles in the map. Out of the several coverage path planning methods, we consider…

Robotics · Computer Science 2017-08-11 Ankit Manerikar , Debasmit Das , Pranay Banerjee

A new class of cost functionals for optimal control of quantum systems which produces controls which are sparse in frequency and smooth in time is proposed. This is achieved by penalizing a suitable time-frequency representation of the…

Optimization and Control · Mathematics 2016-07-15 Gero Friesecke , Felix Henneke , Karl Kunisch

This paper is concerned with a distributed optimal control problem for a nonlocal phase field model of Cahn-Hilliard type, which is a nonlocal version of a model for two-species phase segregation on an atomic lattice under the presence of…

Analysis of PDEs · Mathematics 2016-07-08 Pierluigi Colli , Gianni Gilardi , Jürgen Sprekels

We present a theoretical study of the shaping of the time-evolution of field-free orientation of linear molecules. We show the extend to which the degree of orientation can be steered along a desired periodic time-dependent signal. The…

Quantum Physics · Physics 2019-05-15 R. Tehini , K. Hamraoui , D. Sugny

The Vlasov-Poisson system describes the time evolution of a plasma in the so-called collisionless regime. The investigation of a high-temperature plasma that is influenced by an exterior magnetic field is one of the most significant aspects…

Optimization and Control · Mathematics 2024-07-11 Jan Bartsch , Patrik Knopf , Stefania Scheurer , Jörg Weber

This work considers the problem of approximating initial condition and time-dependent optimal control and trajectory surfaces using multivariable Fourier series. A modified Augmented Lagrangian algorithm for translating the optimal control…

Optimization and Control · Mathematics 2023-12-14 Gabriel Nicolosi , Terry Friesz , Christopher Griffin

We present a first principles molecular dynamics approach that is based on time-reversible ex- tended Lagrangian Born-Oppenheimer molecular dynamics [Phys. Rev. Lett. 100, 123004 (2008)] in the limit of vanishing self-consistent field…

Chemical Physics · Physics 2015-06-18 Petros Souvatzis , Anders M. N. Niklasson

We investigate optimal control problems with $L^0$ constraints, which restrict the measure of the support of the controls. We prove necessary optimality conditions of Pontryagin maximum principle type. Here, a special control perturbation…

Optimization and Control · Mathematics 2022-08-04 Daniel Wachsmuth

A gradient-based optimization approach combined with automatic differentiation is employed to ensure high accuracy and scalability when working with high-dimensional parameter spaces. Numerical simulations confirm the effectiveness of the…

Quantum Physics · Physics 2025-07-15 Roman Sahakyan , Romik Sargsyan , Edgar Pogosyan , Karen Arzumanyan , Emil A. Gazazyan

A class of optimal control problems governed by semilinear parabolic equations with mixed pointwise constraints is considered. We give some criteria under which the first and second-order optimality conditions are of KKT-type. We then prove…

Optimization and Control · Mathematics 2024-02-06 Huynh Khanh , Bui Trong Kien

In quantum optimal control theory the success of an optimization algorithm is highly influenced by how the figure of merit to be optimized behaves as a function of the control field, i.e. by the control landscape. Constraints on the control…

Quantum Physics · Physics 2016-04-07 Niklas Rach , Matthias M. Müller , Tommaso Calarco , Simone Montangero

Models involving hybrid systems are versatile in their application but difficult to optimize efficiently due to their combinatorial nature. This work presents a method to cope with hybrid optimal control problems which, in contrast to…

Optimization and Control · Mathematics 2025-05-20 Viktoriya Nikitina , Alberto De Marchi , Matthias Gerdts

We propose a novel approach for navigating in polygonal environments by synthesizing controllers that take as input relative displacement measurements with respect to a set of landmarks. Our algorithm is based on solving a sequence of…

Systems and Control · Electrical Eng. & Systems 2020-10-13 Mahroo Bahreinian , Erfan Aasi , Roberto Tron

We present a complete analysis of the laser control of a model molecular system using both optimal control theory and adiabatic techniques. This molecule has a particular potential energy surface with a bifurcating region connecting three…

Quantum Physics · Physics 2007-09-19 D. Sugny , C. Kontz , M. Ndong , G. Dive , M. Desouter-Lecomte

We discuss first order optimality conditions for geometric optimization problems with Neumann boundary conditions and boundary observation. The methods we develop here are applicable to large classes of state systems or cost functionals.…

Optimization and Control · Mathematics 2022-10-07 Dan Tiba