Related papers: GOLLUM: a next-generation simulation tool for elec…
Molecular dynamics simulations are used to model the thermal properties of a fluid containing solid nanoparticles (nanofluid). The flexibility of molecular simulation allows us to consider the effects of particle mass, particle-particle and…
Quantum many-fermion systems give rise to diverse states of matter that often reveal themselves in distinctive transport properties. While some of these states can be captured by microscopic models accessible to numerical exact quantum…
With the prevalence of wearable devices, inertial measurement unit (IMU) data has been utilized in monitoring and assessment of human mobility such as human activity recognition (HAR). Training deep neural network (DNN) models for these…
We investigate electron transport through an antidot embedded in a narrow strip of two-dimensional topological insulator. We focus on the most generic and experimentally relevant case with broken axial spin symmetry. Spin-non-conservation…
Thermal engineering of quantum devices has attracted much attention since the discovery of quantized thermal conductance of phonons. Although easily submerged in numerous excitations in macro-systems, quantum behaviors of phonons manifest…
The most challenging scenario for Kohn-Sham density functional theory, that is when the electrons move relatively slowly trying to avoid each other as much as possible because of their repulsion (strong-interaction limit), is reformulated…
Quantum transport simulations are essential for understanding and designing nanoelectronic devices, yet the long-standing trade-off between accuracy and computational efficiency has limited their practical applications. We present…
A semi-analytical model for studying thermal transport at the nanoscale, able to accurately describe both the effect of out of equilibrium transport and the thermal transfer at interfaces, is presented. Our approach is based on the…
The vast separation dividing the characteristic times of energy confinement and turbulence in the core of toroidal plasmas makes first-principles prediction on long timescales extremely challenging. Here we report the demonstration of a…
We have studied theoretically the Kondo effect in the quantum dot(QD) within the whole range of temperature by using the equation-of-motion(EOM) technique based on the non-equilibrium Green function formalism. We have taken the finiteness…
Accurate modeling of spin-orbit coupling and noncollinear magnetism requires noncollinear density functionals within the two-component generalized Kohn-Sham (GKS) framework, yet constructing and implementing noncollinear functionals remains…
$\underline{\textbf{MO}}$nte-carlo $\underline{\textbf{N}}$ucleon transport $\underline{\textbf{C}}$ode (MONC) for nucleon transport is being developed for several years. Constructive Solid Geometry concept is applied with the help of solid…
The designer's preoccupation to reduce the energy needs and get a better thermal quality of ambiances helped in the development of several packages simulating the dynamic behaviour of buildings. This paper shows the adaptation of a method…
We introduce GausSim, a novel neural network-based simulator designed to capture the dynamic behaviors of real-world elastic objects represented through Gaussian kernels. We leverage continuum mechanics and treat each kernel as a Center of…
Monte Carlo simulations and an analytical approach within the framework of a semiclassical model are presented which permit the determination of Coulomb blockade and single electron charging effects for multiple tunnel junctions coupled in…
We study the tunneling transport through a nanojunction in the far-from-equilibrium regime at relatively low temperatures. We show that the current-voltage characteristics is significantly modified as compared to the usual quasi-equilibrium…
In weakly interacting organic semiconductors, static and dynamic disorder often have an important impact on transport properties. Describing charge transport in these systems requires an approach that correctly takes structural and…
Selected problems of fundamental importance for spintronics and spin-polarized transport are reviewed, some of them with a special emphasis on their applications in quantum computing and coherent control of quantum dynamics. The role of the…
We develop a theory of a variable range hopping transport in granular conductors based on the sequential electron tunnelling through many grains in the presence of the strong Coulomb interaction. The processes of quantum tunnelling of real…
Room-temperature Coulomb blockade of charge transport through composite nanostructures containing organic inter-links has recently been observed. A pronounced charging effect in combination with the softness of the molecular links implies…