Related papers: Optimal molecular alignment and orientation throug…
Optimization under structural constraints is typically analyzed through projection or penalty methods, obscuring the geometric mechanism by which constraints shape admissible dynamics. We propose an operator-theoretic formulation in which…
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…
In the context of the optimization of rotating electric machines, many different objective functions are of interest and considering this during the optimization is of crucial importance. While evolutionary algorithms can provide a Pareto…
We present a modified optimal control scheme based on the Krotov method, which allows for strict limitations on the spectrum of the optimized laser fields, without losing monotonic convergence of the algorithm. The method guarantees a close…
We develop a mathematically simple yet accurate model for the single-pulse non-resonant impulsive alignment of thermal ensembles of linear molecules. We find that our molecular alignment model not only provides a simplification for…
Quadratic trapping potentials are widely used to experimentally probe biopolymers and molecular machines and drive transitions in steered molecular-dynamics simulations. Approximating energy landscapes as locally quadratic, we design…
The motor part of a crawling eukaryotic cell can be represented schematically as an active continuum layer. The main active processes in this layer are protrusion, originating from non-equilibrium polymerization of actin fibers,…
Movable antenna (MA) technology offers a flexible approach to enhancing wireless channel conditions by adjusting antenna positions within a designated region. While most existing works focus on narrowband MA systems, this paper investigates…
We analyze the simultaneous time-optimal control of two-spin systems. The two non coupled spins which differ in the value of their chemical offsets are controlled by the same magnetic fields. Using an appropriate rotating frame, we restrict…
Vibrational dynamics in conventional molecules usually takes place on a timescale of picoseconds or shorter. A striking exception are ultralong-range Rydberg molecules, for which dynamics is dramatically slowed down as a consequence of the…
We study the classical version of the 120-degree model. This is an attractive nearest-neighbor system in three dimensions with XY (rotor) spins and interaction such that only a particular projection of the spins gets coupled in each…
Molecular rotation spectra, generated by the coupling of the molecular electric-dipole moments to an external time-dependent electric field, are discussed in a few particular conditions which can be of some experimental interest. First, the…
This paper present the mathematical fundaments and experimental study of an algorithm used to find the optimal position for the camera lens to obtain a maximum of details. This information can be further applied to a appropriate system to…
Electromagnetic fields with complex spatial variation routinely arise in Nature. We study the response of a small molecule to monochromatic fields of arbitrary three-dimensional geometry. First, we consider the allowed configurations of the…
We present a novel energy-based localization procedure able to localize molecular orbitals into specific spatial regions. The method is applied to several cases including both conjugated and non-conjugated systems. The obtained localized…
Relativistic molecular dynamics are described in ultra-high temperature and MeV energy behaviors. In strongly-coupled systems, the Coulomb electrostatic field is collected in the infinite space, and the electromagnetic fields are added in…
Precise control over rotational angular momentum is at the heart of recent advances in quantum chemistry, quantum simulation, and quantum computation with ultracold bialkali molecules. Each rotational state comprises a rich manifold of…
The development of self-propelled particles at the micro- and the nanoscale has sparked a huge potential for future applications in active matter physics, microsurgery, and targeted drug delivery. However, while the latter applications…
Single-site dynamical mean field theory is used to determine the magnetic and orbital-ordering phase diagram for a model of electrons moving on a lattice with three orbital states per site and with the fully rotationally invariant…
Optimal control theory is a versatile tool that presents a route to significantly improving figures of merit for quantum information tasks. We combine it here with the geometric theory for local equivalence classes of two-qubit operations…