相关论文: kdotpy: $\mathbf{k}\cdot\mathbf{p}$ theory on a la…
A strategy for the systematic design of polymeric superlattices with tailor-made mini-bandgaps and carrier mini-effective masses is described and computationally implemented by means of an envelope crystalline-orbital method, which is a…
Flat band materials such as the kagome metals or moir\'e superlattice systems are of intense current interest. Flat bands can result from the electron motion on numerous (special) lattices and usually exhibit topological properties. Their…
The majority of quantum simulators treat simplified one-band strongly correlated models, whereas multiple bands are needed to describe materials with intermediate correlation. We investigate the sensitivity of multiband quantum simulators…
The use of topology for visualisation applications has become increasingly popular due to its ability to summarise data at a high level. Criticalities in scalar field data are used by visualisation methods such as the Reeb graph and contour…
Technicolor theories provide an elegant mechanism for dynamical electroweak symmetry breaking. We will discuss the use of lattice simulations to study the strongly-interacting dynamics of some of the candidate theories, with matter fields…
We investigate a Kac-type many particle model that allows a reference-free description of plastic deformation. In the framework of the model a solid body is described by a set of particle positions. A lattice is fitted to the particle…
We propose a new framework for simulating $\text{U}(k)$ Yang-Mills theory on a universal quantum computer. This construction uses the orbifold lattice formulation proposed by Kaplan, Katz, and Unsal, who originally applied it to…
The search for materials with topological properties is an ongoing effort. In this article we propose a systematic statistical method supported by machine learning techniques that is capable of constructing topological models for a generic…
We propose a systematic procedure for constructing effective lattice fermion models for narrow-band compounds on the basis of first-principles electronic structure calculations. The method is illustrated for the series of transition-metal…
Finite-temperature calculations are relevant for rationalizing material properties yet they are computationally expensive because large system sizes or long simulation times are typically required. Circumventing the need for performing many…
Gauge theories are the most successful theories for describing nature at its fundamental level, but obtaining analytical or numerical solutions often remains a challenge. We propose an experimental quantum simulation scheme to study ground…
We present kikuchipy, an open-source toolbox for analysis of electron backscatter diffraction patterns, written in Python. The software is capable of both Hough and dictionary indexing and orientation and/or projection center refinement of…
We present new parallel software, SUSY LATTICE, for lattice studies of four-dimensional $\mathcal N = 4$ supersymmetric Yang--Mills theory with gauge group SU(N). The lattice action is constructed to exactly preserve a single supersymmetry…
The realization of quantum field theories on an optical lattice is an important subject toward the quantum simulation. We argue that such efforts would lead to the experimental realizations of quantum black holes. The basic idea is to…
We present a matrix product operator construction that allows us to represent the lattice Hamiltonians of (abelian or non-abelian) gauge theories in a local and manifestly translation-invariant form. In particular, we use symmetric matrix…
A multiband empirical tight-binding model for group-III-nitride semiconductors with a wurtzite structure has been developed and applied to both bulk systems and embedded quantum dots. As a minimal basis set we assume one s-orbital and three…
We present a Mathematica program package MagneticTB, which can generate the tight-binding model for arbitrary magnetic space group. The only input parameters in MagneticTB are the (magnetic) space group number and the orbital information in…
Magnetic materials play a key role in the contemporary industry, providing unique features with a wide application potential. To study physical phenomena and design new materials, it is important to possess an appropriate tool, a model…
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…
One of the methods proposed in the last years for studying non-perturbative gauge theory physics is quantum simulation, where lattice gauge theories are mapped onto quantum devices which can be built in the laboratory, or quantum computers.…