Related papers: Hetero-structure Mode Space Method for Efficient D…
We present a gauge-invariant effective action for the Abelian-Higgs model in 1+1 dimensions. It is constructed by integrating out the gauge field and then using the hopping parameter expansion. The latter is tested with Monte Carlo…
In this work we propose a method to perform optimization on manifolds. We assume to have an objective function $f$ defined on a manifold and think of it as the potential energy of a mechanical system. By adding a momentum-dependent kinetic…
This paper introduces a new approach for simulating magnetic properties of nanocomposites comprising magnetic particles embedded in a non-magnetic matrix, taking into account the 3D structure of the system in which particles' positions…
Complex non-local behavior makes designing high efficiency and multifunctional metasurfaces a significant challenge. While using libraries of meta-atoms provide a simple and fast implementation methodology, pillar to pillar interaction…
We study the transport properties of deeply scaled monolayer MoS2 n-channel metal-oxide-semiconductor field effect transistors (MOSFETs) using full-band ballistic quantum transport simulations with an atomistic tight-binding Hamiltonian…
The exploration of neural network quantum states has become widespread in the studies of complicated quantum many-body systems. However, achieving high precision remains challenging due to the exponential growth of Hilbert space size and…
In this paper we present NANOTCAD2D, a code for the simulation of the electrical properties of semiconductor-based nanoelectronic devices and structures in two-dimensional domains. Such code is based on the solution of the…
We report a sequential two-step vapor deposition process for growing mixed-dimensional van der Waals (vdW) materials, specifically Te nanowires (1D) and MoS$_2$ (2D), on a single SiO$_2$ wafer. Our growth technique offers a unique potential…
Hamiltonian splitting methods are an established technique to derive stable and accurate integration schemes in molecular dynamics, in which additional accuracy can be gained using force gradients. For rigid bodies, a tradition exists in…
The sp3d5s*-spin-orbit-coupled atomistic tight-binding (TB) model is used for the electronic structure calculation of Si nanowires (NWs), self consistently coupled to a 2D Poisson equation, solved in the cross section of the NW. Upon…
The proper orthogonal decomposition reduced-order models (POD-ROMs) have been widely used as a computationally efficient surrogate models in large-scale numerical simulations of complex systems. However, when it is applied to a Hamiltonian…
A microscopic model Hamiltonian for the ferroelectric field effect is introduced for the study of oxide heterostructures with ferroelectric components. The long-range Coulomb interaction is incorporated as an electrostatic potential, solved…
An approximate method based on adiabatic time dependent density functional theory (TDDFT) is presented, that allows for the description of the electron dynamics in nanoscale junctions under arbitrary time dependent external potentials. In…
We discuss our new implementation of the Real-space Electronic Structure method for studying the atomic and electronic structure of infinite periodic as well as finite systems, based on density functional theory. This improved version which…
The simulation of charge transport in ultra-scaled electronic devices requires the knowledge of the atomic configuration and the associated potential. Such "atomistic" device simulation is most commonly handled using a tight-binding…
The structure of the reduced phase space arising in the Hamiltonian reduction of the phase space corresponding to a free particle motion on the group ${\rm SL}(2, {\Bbb R})$ is investigated. The considered reduction is based on the…
The hyperspherical adiabatic method is used to derive stability criteria for Bose-Einstein condensates in deformed external fields. An analytical approximation is obtained. For constant volume the highest stability is found for spherical…
The Transformer architecture is widely used for machine translation tasks. However, its resource-intensive nature makes it challenging to implement on constrained embedded devices, particularly where available hardware resources can vary at…
Effective Hamiltonians are usually constructed by using canonical transformations or projection techniques. In contrast to this, we present a method for systems with arbitrary Hilbert space based on the introduction of cumulants. Cumulants…
We present and test a method that dramatically reduces variance arising from the sparse sampling of wavemodes in cosmological simulations. The method uses two simulations which are fixed (the initial Fourier mode amplitudes are fixed to the…