Related papers: BITLLES: Electron Transport Simulation with Quantu…
A Full Band Monte Carlo simulator has been developed to consider phonon transmission across interfaces that are perpendicular to the heat flux. This solver of the Boltzmann transport equation which does not require any assumption on the…
Electron transport within nanostructures can be important to varied engineering applications, such as thermoelectrics and nanoelectronics. In theoretical studies, electron Monte Carlo simulations are widely used as an alternative approach…
In 1981, Richard Feynman discussed the possibility of performing quantum mechanical simulations of nature. Ever since, there has been an enormous interest in using quantum mechanical systems, known as quantum simulators, to mimic specific…
A new approach in the quantum theory of few-electron nanoelectronic devices -- the S-matrix approach -- is presented in a simple example: a single-electron transistor consisting of a single-level quantum dot connected with two metallic…
Charge transport through molecular junctions is often described either as a purely coherent or a purely classical phenomenon, and described using the Landauer-B\"uttiker formalism or Marcus theory, respectively. Using a generalised quantum…
Understanding transport phenomena in quantum spin systems has long intrigued physicists due to their potential applications in spintronic devices and spin qubits. Here, using a superconducting-qubit-based transmon device, we show that…
In this work the path integral formulation for rigid rotors, proposed by M\"user and Berne [Phys. Rev. Lett. {\bf 77}, 2638 (1996)], is described in detail. It is shown how this formulation can be used to perform Monte Carlo simulations of…
Electronic transport properties for single-molecule junctions have been widely measured by several techniques, including mechanically controllable break junctions, electromigration break junctions or by means of scanning tunneling…
Quantum computing holds potential for accelerating the simulation of fluid dynamics. However, hardware noise in the noisy intermediate-scale quantum era significantly distorts simulation accuracy. Although error magnitudes are frequently…
The concept of mobility is discussed in the case of unstrained and strained nanoscale DG MOSFET thanks to particle Monte Carlo device simulation. Without the introduction of specific scattering phenomenon for short channel devices, the…
We describe mathematically the apparently paradoxical phenomenon that an electronic current in a semiconductor can flow because of collisions, and not despite them. A transport model of charge transport in a one-dimensional semiconductor…
Computing the ground-state properties of quantum many-body systems is a promising application of near-term quantum hardware with a potential impact in many fields. The conventional algorithm quantum phase estimation uses deep circuits and…
We study the effect of noise on the transport of a quantum state from a closed loop of $n-$sites with one of the sites as a sink. Using a discrete-time quantum walk dynamics, we demonstrate that the transport efficiency can be enhanced with…
Recent advances in time-resolved cathodoluminescence have enabled ultrafast studies of single emitters in quantum materials with femtosecond temporal resolution. Here, we develop a quantum theory modeling the dynamics of free electrons…
We consider Hamiltonian simulation using the first order Lie-Trotter product formula under the assumption that the initial state has a high overlap with an energy eigenstate, or a collection of eigenstates in a narrow energy band. This…
The advection-diffusion equation is simulated on a superconducting quantum computer via several quantum algorithms. Three formulations are considered: (1) Trotterization, (2) variational quantum time evolution (VarQTE), and (3) adaptive…
The microphysics of electron and photon propagation in liquid argon is a key component of detector design and calibrations needed to construct and perform measurements within a wide range of particle physics experiments. As experiments grow…
We explore the charge transport mechanism in organic semiconductors based on a model that accounts for the thermal intermolecular disorder at work in pure crystalline compounds, as well as extrinsic sources of disorder that are present in…
We establish a universal theory to understand quasiparticle Hall effects and transverse charge-carrier transport in organic semiconductors. The simulations are applied to organic crystals inspired by rubrene and cover multiple transport…
The calculations of electronic transport coefficients and optical properties require a very dense interpolation of the electronic band structure in reciprocal space that is computationally expensive and may have issues with band crossing…