Related papers: Time-dependent framework for energy and charge cur…
Specific matrix elements of exchange and correlation kernels in time-dependent density-functional theory are computed. The knowledge of these matrix elements not only constraints approximate time-dependent functionals, but also allows to…
A current-carrying resonant nanoscale device, simulated by non-adiabatic molecular dynamics, exhibits sharp activation of non-conservative current-induced forces with bias. The result, above the critical bias, is generalized rotational…
Non-Markovian effects in the evolution of open quantum systems have recently attracted widespread interest, particularly in the context of assessing the efficiency of energy and charge transfer in nanoscale biomolecular networks and quantum…
We consider a quantum battery modeled as a set of N independent two-level quantum systems driven by a time dependent classical source. Different figures of merit, such as stored energy, time of charging and energy quantum fluctuations…
Simulations of charge transport in amorphous semiconductors are often performed in microscopically sized systems. As a result, charge carrier mobilities become system-size dependent. We propose a simple method for extrapolating a…
Control of systems of automated guided vehicles involves action planning at many levels. For efficient control of these systems, accurate estimation of cost parameters (speed, energy, task completion performance, \textit{et~cetera} is…
This paper introduces a linear state-space model with time-varying dynamics. The time dependency is obtained by forming the state dynamics matrix as a time-varying linear combination of a set of matrices. The time dependency of the weights…
Long-range interactions and electric response are essential for accurate modeling of condensed-phase systems, but capturing them efficiently remains a challenge for atomistic machine learning. Traditionally, these two phenomena can be…
We present a formalism to study the heat transport and the power developed by the local driving fields on a quantum system coupled to macroscopic reservoirs. We show that, quite generally, two important mechanisms can take place: (i)…
We introduce a new implementation of time-dependent density-functional theory which allows the \emph{entire} spectrum of a molecule or extended system to be computed with a numerical effort comparable to that of a \emph{single} standard…
We employ matrix product state simulations to study energy transport within the non-integrable regime of the one-dimensional $\mathbb{Z}_3$ chiral clock model. To induce a non-equilibrium steady state throughout the system, we consider open…
The wide-band limit is a commonly used approximation to analyze transport through nanoscale devices. In this work we investigate its applicability to the study of charge and heat transport through molecular break junctions exposed to…
In this work a practical scheme is developed for the first-principles study of time-dependent quantum transport. The basic idea is to combine the transport master-equation with the well-known time-dependent density functional theory. The…
We have derived a time dependent solution describing the development of space charge inside an ion chamber subjected to an externally caused ionization rate N. The solution enables the derivation of a formula that the operational parameters…
With the increasing demand for low-power electronics, nanomagnetic devices have emerged as strong potential candidates to complement present day transistor technology. A variety of novel switching effects such as spin torque and giant spin…
We study time-dependent heat transport in systems composed of a resonant level periodically forced with an external power source and coupled to a fermionic continuum. This simple model contains the basic ingredients to understand time…
Energy markets exhibit complex causal relationships between weather patterns, generation technologies, and price formation, with regime changes occurring continuously rather than at discrete break points. Current approaches model…
Modeling nanoscale capacitance presents particular challenge because of dynamic contribution from electrodes, which can usually be neglected in modeling macroscopic capacitance and nanoscale conductance. We present a model to calculate…
The differential relation between the energy and electric charge of a dyon is derived. The relation expresses the derivative of the energy with respect to the electric charge in terms of the boundary value for the temporal component of the…
Energy levels of QED bound states, which depend on a number of independent mass parameters, can be calculated as matrix elements of the QED energy-momentum tensor trace. As an example of such system we consider muonic hydrogen. The leading…