Related papers: Symmetry-adapted closest Wannier modeling based on…
We derive a "Wannier-Hubbard" model consisting of an array of overlapping atomic orbitals interacting via a local Coulomb interaction. Transforming to an orthogonal Wannier basis set, the resulting Hamiltonian displays long range hopping…
In the band theory, first-principles calculations, the tight-binding method and the effective $k\cdot p$ model are usually employed to investigate the electronic structure of condensed matters. The effective $k\cdot p$ model has a compact…
Sharpness-Aware Minimization (SAM) has proven highly effective in improving model generalization in machine learning tasks. However, SAM employs a fixed hyperparameter associated with the regularization to characterize the sharpness of the…
This paper proposes a port-Hamiltonian framework for angle-based formation stabilization and maneuvers using bearing and velocity measurements with an underlying triangulated Laman graph. The corresponding port-Hamiltonian controller is…
We split the generic conformal mechanical system into a "radial" and an "angular" part, where the latter is defined as the Hamiltonian system on the orbit of the conformal group, with the Casimir function in the role of the Hamiltonian. We…
We introduce a novel machine learning based framework for discovering integrable models. Our approach first employs a synchronized ensemble of neural networks to find high-precision numerical solution to the Yang-Baxter equation within a…
The automation of ab initio simulations is essential in view of performing high-throughput (HT) computational screenings oriented to the discovery of novel materials with desired physical properties. In this work, we propose algorithms and…
A versatile method for combining density functional theory (DFT) in the local density approximation (LDA) with dynamical mean-field theory (DMFT) is presented. Starting from a general basis-independent formulation, we use Wannier functions…
We present a theoretical method for calculating optical absorption spectra based on maximally localized Wannier functions, which is suitable for large periodic systems. For this purpose, we calculate the exciton Hamiltonian, which…
In many applications, we need algorithms which can align partially overlapping point sets and are invariant to the corresponding transformations. In this work, a method possessing such properties is realized by minimizing the objective of…
The Weyl-Weinberg-Salam model is presented. It is based on the local conformal gauge symmetry. The model identifies the Higgs scalar field in SM with the Penrose-Chernikov-Tagirov scalar field of the conformal theory of gravity. Higgs…
We investigate schemes for Hamiltonian parameter estimation of a two-level system using repeated measurements in a fixed basis. The simplest (Fourier based) schemes yield an estimate with a mean square error (MSE) that decreases at best as…
We formulate Wannier orbital overlap population and Wannier orbital Hamilton population to describe the contribution of different orbitals to electron distribution and their interactions. These methods, which are analogous to the well known…
Maximally localized Wannier functions (MLWFs) are conventionally constructed by iteratively minimizing a spread functional over a high-dimensional gauge landscape. In this work, we present a non-variational constructive algorithm that…
The WKB approximation plays an essential role in the development of quantum mechanics and various important results have been obtained from it. In this paper, we introduce another method, {\it the so-called uniform asymptotic…
An iterative procedure for the explicit construction of the nontrivial subspace of all symmetry-adapted configurations with non-zero weight in the ground-state of the infinite-dimensional Hubbard model is developed on the basis of a…
In this work, we introduce an original self-consistent scheme based on the one-body reduced density matrix ($\gamma$) formalism. A significant feature of this methodology is the utilization of an optimal unitary transformation of the…
Using an $sp^{3}s^{*}$ tight-binding model we demonstrate how the observed strong bowing of the band gap and spin-orbit-splitting with increasing Bi composition in the dilute bismide alloy GaBi$_{x}$As$_{1-x}$ can be described in terms of a…
An innovative strategy for the design of low-profile wide-angle impedance matching (WAIM) superstrates to active return loss (ARL) stability of scanned microstrip-printed periodic phased arrays (PPAs) is presented. Towards this end, an…
Image registration is a fundamental task in medical image analysis. Deformations are often closely related to the morphological characteristics of tissues, making accurate feature extraction crucial. Recent weakly supervised methods improve…