Related papers: Reduced density matrix hybrid approach: Applicatio…
We consider the energy-driven stochastic state vector reduction equation for the density matrix, which for pure state density matrices can be written in two equivalent forms. We use these forms to discuss the decoupling of the noise terms…
Density functional theory with linear combination of atomic orbitals (LCAO) basis sets is useful for studying large atomic systems, especially when it comes to computationally highly demanding time-dependent dynamics. We have implemented…
Methods based on propagation of the one-body reduced density-matrix hold much promise for the simulation of correlated many-electron dynamics far from equilibrium, but difficulties with finding good approximations for the interaction term…
This study considers a point-to-point wireless link, in which both the transmitter and receiver are equipped with multiple antennas. In addition, two reconfigurable metasurfaces are deployed, one in the immediate vicinity of the transmit…
IoT devices are increasingly being implemented with neural network models to enable smart applications. Energy harvesting (EH) technology that harvests energy from ambient environment is a promising alternative to batteries for powering…
There are various methods for modeling phase transformations in materials science, including general classes of phase-field methods and reactive diffusion methodologies, which most importantly differ in their treatment of interface energy.…
Edge machine learning can deliver low-latency and private artificial intelligent (AI) services for mobile devices by leveraging computation and storage resources at the network edge. This paper presents an energy-efficient edge processing…
Understanding mechanisms for energy dissipation from nanoparticles in contact with large samples is a central problem in describing friction microscopically. Calculation of the reduced density matrix appears to be the most suitable metho to…
The time-development of photoexcitations in molecular aggregates exhibits specific dynamics of electronic states and vibrational wavefunction. We discuss the dynamical formation of entanglement between electronic and vibrational degrees of…
This paper establishes new connections between many-body quantum systems, One-body Reduced Density Matrices Functional Theory (1RDMFT) and Optimal Transport (OT), by interpreting the problem of computing the ground-state energy of a finite…
Due to a continuum of electronic states present in periodic systems, the description of molecular dynamics on surfaces poses a serious computational challenge. One of the most used families of approaches in these settings are friction…
Traditional dynamic security assessment faces challenges as power systems are experiencing a transformation to inverter-based-resource (IBR) dominated systems, for which electromagnetic transient (EMT) dynamics have to be considered.…
The quantum dynamics of a low-dimensional system in contact with a large but finite harmonic bath is theoretically investigated by coarse-graining the bath into a reduced set of effective energy states. In this model, the couplings between…
This research presents a multi-layer optimization framework for hybrid energy storage systems (HESS) for passenger electric vehicles to increase the battery system's performance by combining multiple cell chemistries. Specifically, we…
We apply reduced density-matrix functional theory to the parabolically confined quantum Hall droplet in the spin-frozen strong magnetic field regime. One-body reduced density matrix functional method performs remarkably well in obtaining…
Relativistic magnetic reconnection is a key process for accelerating charged particles and producing high-energy radiation. We study this process using relativistic resistive magnetohydrodynamics simulations. Starting with Harris sheet…
We have studied transition metal clusters from a quantum information theory perspective using the density-matrix renormalization group (DMRG) method. We demonstrate the competition between entanglement and interaction localization. We also…
Microscopic theory of the nonradiative energy transfer in a system of III-V semiconductor quantum dots is elaborated in our work. The energy transfer both due to direct Coulomb and due to exchange interactions between two quantum dots…
The two-site Holstein model represents a first non-trivial paradigm for the interaction between an itinerant charge with a quantum oscillator, a very common topic in different ambits. Exact results can be achieved both analytically and…
This article surveys the procedures used for deriving detector transfer functions and normalizing probability densities for the statistical analysis technique known as the "matrix element method" in the context of high energy physics (HEP)…