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The angular momentum of molecules, or, equivalently, their rotation in three-dimensional space, is ideally suited for quantum control. Molecular angular momentum is naturally quantized, time evolution is governed by a well-known Hamiltonian…

量子物理 · 物理学 2019-10-23 Christiane P. Koch , Mikhail Lemeshko , Dominique Sugny

The capability to control molecular rotation for field-free orientation, which arranges molecules in specific spatial directions without external fields, is crucial in physics, chemistry, and quantum information science. However,…

量子物理 · 物理学 2025-12-25 Qian-Qian Hong , Zhe-Jun Zhang , Chuan-Cun Shu , Jun He , Daoyi Dong , Dajun Ding

The understanding of molecular structure and function is at the very heart of the chemical and molecular sciences. Experiments that allow for the creation of structurally pure samples and the investigation of their molecular dynamics and…

化学物理 · 物理学 2015-10-20 Yuan-Pin Chang , Daniel A. Horke , Sebastian Trippel , Jochen Küpper

A major obstacle in the way of practical quantum computing is achieving scalable and robust high-fidelity entangling gates. To this end, quantum control has become an essential tool, as it can make the entangling interaction resilient to…

The lack of a direct map between control fields and desired control objectives poses a significant challenge in applying quantum control theory to quantum technologies. Here, we propose an analytical framework to precisely control a limited…

量子物理 · 物理学 2025-03-05 Qian-Qian Hong , Daoyi Dong , Niels E. Henriksen , Franco Nori , Jun He , Chuan-Cun Shu

The goal of quantum tracking control is to identify shaped fields to steer observable expectation values along designated time-dependent tracks. The fields are determined via an iteration-free procedure, which is based on inverting the…

量子物理 · 物理学 2024-02-06 Alicia B. Magann , Tak-San Ho , Christian Arenz , Herschel A. Rabitz

We analyze theoretically the interplay between the torsional and the rotational motion of an aligned biphenyl-like molecule. To do so, we consider a transition between two electronic states with different internal torsional potentials,…

化学物理 · 物理学 2017-02-08 Juan J. Omiste , Lars Bojer Madsen

Quantum tracking control aims to identify applied fields to steer the expectation values of particular observables along desired paths in time. The associated temporal fields can be identified by inverting the underlying dynamical equations…

量子物理 · 物理学 2018-10-31 Alicia Magann , Tak-San Ho , Herschel Rabitz

Optimally-shaped electromagnetic fields have the capacity to coherently control the dynamics of quantum systems and thus offer a promising means for controlling molecular transformations relevant to chemical, biological, and materials…

量子物理 · 物理学 2021-06-08 Alicia B. Magann , Matthew D. Grace , Herschel A. Rabitz , Mohan Sarovar

Laser control of molecular rotation is an area of active research. A number of recent studies has aimed at expanding the reach of rotational control to extreme, previously inaccessible rotational states, as well as controlling the…

量子物理 · 物理学 2015-01-13 V. Milner , J. W. Hepburn

Traditional force fields commonly use a combination of bonded torsional terms and empirically scaled non-bonded interactions to capture 1-4 energies and forces of atoms separated by three bonds in a molecule. While this approach can yield…

We tailor the quantum statistics of a bosonic field to deterministically drive a quantum system into a target state. Experimentally accessible states of the field achieve good control of multi-level or -qubit systems, notably also at…

量子物理 · 物理学 2023-04-12 Frieder Lindel , Edoardo G. Carnio , Stefan Yoshi Buhmann , Andreas Buchleitner

We present a theoretical model of spin transitions in stacks of molecular layers. Our model captures the already established physics of these systems (thermal hysteretic transitions and crossovers) and suggests a way towards in situ control…

强关联电子 · 物理学 2019-12-25 O. I. Utesov , S. Burdin , P. Rosa , M. Gonidec , L. Poggini , S. V. Andreev

The extraordinary success in laser cooling, trapping, and coherent manipulation of atoms has energized the efforts in extending this exquisite control to molecules. Not only are molecules ubiquitous in nature, but the control of their…

原子物理 · 物理学 2022-04-27 D. Mitra , K. H. Leung , T. Zelevinsky

We present a combined analytical and numerical investigation to show how an optimal control field can be designed to generate maximum field-free orientation of molecules for three populated rotational states. Based on a model involving pure…

量子物理 · 物理学 2021-07-28 Qian-Qian Hong , Li-Bao Fan , Chuan-Cun Shu , Niels E. Henriksen

In this work, we utilize discrete geometric mechanics to derive a 2nd-order variational integrator so as to simulate rigid body dynamics. The developed integrator is to simulate the motion of a free rigid body and a quad-rotor. We…

最优化与控制 · 数学 2020-05-18 Mahmoud Abdelgalil , Asmaa Eldesoukey , Esraa Elshabrawy , Mostafa Abdalla

We investigate the full control over the orientation of a non-symmetric molecule by using moderate and weak electric fields. Quantum Optimal Control techniques allow us to orient any axis of 6-chloropyridazine-3-carbonitrile, which is taken…

量子物理 · 物理学 2023-11-21 Rosario González-Férez , Juan J. Omiste

A rigorous quantum description of molecular dynamics with a particular emphasis on internal observables is developed accounting explicitly for kinetic couplings between nuclei and electrons. Rotational modes are treated in a genuinely…

化学物理 · 物理学 2015-07-07 Sylvain D. Brechet , Francois A. Reuse , Klaus Maschke , Jean-Philippe Ansermet

Semiconductor quantum dot molecules are considered as promising candidates for quantum technological applications due to their wide tunability of optical properties and coverage of different energy scales associated with charge and spin…

The control of spins and spin to charge conversion in organics requires understanding the molecular spin-orbit coupling (SOC), and a means to tune its strength. However, quantifying SOC strengths indirectly through spin relaxation effects…

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