Related papers: New optimal control problems in density functional…
The density-functional approach to quantum electrodynamics is extending traditional density-functional theory and opens the possibility to describe electron-photon interactions in terms of effective Kohn-Sham potentials. In this work, we…
In various physical implementations of quantum information processing, qubits are realized in a Lambda type system configuration as two stable lower energy levels coupled indirectly via an unstable higher energy level, that is, in…
Phenomena involving electron transfer are ubiquitous in nature, photosynthesis and enzymes or protein activity being prominent examples. Their deep understanding thus represents a mandatory scientific goal. Moreover, controlling the…
Charge separation properties, that is the ability of a chromophore, or a chromophore/semiconductor interface, to separate charges upon light absorption, are crucial characteristics for an efficient photovoltaic device. Starting from this…
Genetic algorithms, as implemented in optimal control strategies, are currently successfully exploited in a wide range of problems in molecular physics. In this context, laser control of molecular alignment and orientation remains a very…
We revisit the fundamental topic of light scattering by single homogenous nanoparticles from the new perspective of excitation and manipulation of toroidal dipoles. It is revealed that besides within all-dielectric particles, toroidal…
We discuss the optimal Markovian coupling before an exponential time of the Kolmogorov diffusion, and a class of related stochastic control problems in which the aim is to hit the origin before an exponential time. We provide a scaling…
The Tokamak device is the most promising candidate for producing sustainable electric power by nuclear fusion. It is a torus-shaped device that confines plasma by a strong magnetic field. The development, design and control of the design…
This paper investigates an optimal control problem associated with a two-dimensional multi-species Cahn-Hilliard-Keller-Segel tumor growth model, which incorporates complex biological processes such as species diffusion, chemotaxis,…
We present a constrained density functional perturbation theory scheme for the calculation of structural and harmonic vibrational properties of insulators in the presence of an excited and thermalized electron-hole plasma. The method is…
The article considers a two-level open quantum system whose dynamics is driven by a combination of coherent and incoherent controls. Coherent control enters into the Hamiltonian part of the dynamics whereas incoherent control enters into…
Control of the temporal waveform of photons produced during spontaneous emission from single quantum emitters provides a crucial tool in the establishment of hybrid quantum systems, optimization of quantum state transfer protocols and…
Kohn-Sham spin-density functional theory provides an efficient and accurate model to study electron-electron interaction effects in quantum dots, but its application to large systems is a challenge. An efficient algorithm for the…
A New theoretical formalism for the optimal quantum control has been presented. The approach stems from the consideration of describing the time-dependent quantum system in terms of the real physical observables, viz., the probability…
Following the lifespan of optical excitations from their creation to decay into photons is crucial in understanding materials optical properties. Macroscopically, techniques such as the photoluminescence excitation spectroscopy provide…
Optoelectronic functionalities of photodection and light harnessing rely on the band-to-band excitation of semiconductors, thus the spectral response of the devices is dictated and limited by their bandgap. A novel approach, free from this…
This paper considers the problem of steering an arbitrary initial probability density function to an arbitrary terminal one, where the system dynamics is governed by a first-order linear stochastic difference equation. It is a…
An electron density functional approach for the calculation of the nuclear multipole moments is presented. The electronic matrix elements entering the experimentally observed hyperfine electron-nucleus interaction constants in atoms are…
The intent of the study detailed in this paper is to demonstrate the benefits of inverter var control on a fast timescale to mitigate rapid and large voltage fluctuations due to the high penetration of photovoltaic generation and the…
Nanoscale devices are being extensively studied for their tunable electronic and optical properties, but the influence of impurities and defects is amplified at these length scales and can lead to poorly understood variations in…