相关论文: Surface Passivation in Empirical Tight Binding

Silicon Dangling Bonds have established themselves as a promising competitor in the field of beyond-CMOS technologies. Their integration density and potential for energy dissipation advantages of several orders of magnitude over…

We present a differentiable soft-body physics simulator that can be composed with neural networks as a differentiable layer. In contrast to other differentiable physics approaches that use explicit forward models to define state…

Exact diagonalization techniques are a powerful method for studying many-body problems. Here, we apply this method to systems of few bosons in an optical lattice, and use it to demonstrate the emergence of interesting quantum phenomena like…

An efficient, iterative semi-implicit (SI) numerical method for the time integration of stiff wave systems is presented. Physics-based assumptions are used to derive a convergent iterative formulation of the SI scheme which enables the…

We introduce an orbital dependent electron tunneling model and implement it within the atom superposition approach for simulating scanning tunneling microscopy (STM) and spectroscopy (STS). Applying our method, we analyze the convergence…

We derive an analytical approximate solution of the time-dependent state vector in terms of material Bell states and coherent states of the field for a generalized two-atom Tavis-Cummings model with nonlinear intensity dependent…

The goal of this paper is to relate the capacitance matrix formalism to the tight-binding approximation. By doing so, we open the way to the use of mathematical techniques and tools from condensed matter theory in the mathematical and…

A recent experiment [Cohen et al., Science 382, 542 (2023)] observed a robustly quantized $e^2/2h$ conductance in a quantum point contact between fractional quantum Hall edges (a quantum Hall transformer), which then vanishes at low…

Semi-empirical quantum models such as Density Functional Tight Binding (DFTB) are attractive methods for obtaining quantum simulation data at longer time and length scales than possible with standard approaches. However, application of…

Topologically trivial insulators are classified into two primary categories: unobstructed and obstructed atomic insulators. While both types can be described by exponentially localized Wannier orbitals, a defining feature of obstructed…

While several experiments claim that two-level system (TLS) defects in amorphous surfaces/interfaces are responsible for energy relaxation in superconducting resonators and qubits, none can provide quantitative explanation of their data in…

Entanglement is a fundamental resource for quantum information processing, occurring naturally in many-body systems at low temperatures. The presence of entanglement and, in particular, its scaling with the size of system partitions…

We present a route towards the quantum simulation of exotic quantum magnetism in ion traps by exploiting dual relations between different spin models. Our strategy allows one to start from Hamiltonians that can be realized with current…

Understanding dissipation in 2D quantum many-body systems is a remarkably difficult open challenge. Here we show how numerical simulations for this problem are possible by means of a tensor network algorithm that approximates steady-states…

Localized interface states in abrupt semiconductor heterojunctions are studied within a tight-binding model. The intention is to provide a microscopic foundation for the results of similar studies which were based upon the two-band model…

In this tutorial we review physical implementation of quantum computing using a system of cold trapped ions. We discuss systematically all the aspects for making the implementation possible. Firstly, we go through the loading and confining…

We discuss the steady-state electronic transport in solid-state and molecular devices in the quantum regime. The decimation technique allows a comprehensive description of the electronic structure. Such a method is used, in conjunction with…

Simulated cooling is a robust method for preparing low-energy states of many-body Hamiltonians on near-term quantum simulators. In such schemes, a subset of the simulator's spins (or qubits) are treated as a ``bath,'' which extracts energy…

We present a high-accuracy procedure for electronic structure calculations of strongly correlated materials. To address limitations in current electronic structure methods, we employ density functional theory in combination with the…

Comparative molecular dynamics simulations of a hexamer cluster of the protic ionic liquid ethylammonium nitrate are performed using density functional theory (DFT) and density functional-based tight binding (DFTB) methods. The focus is on…