相关论文: Interface tool from Wannier90 to RESPACK: wan2resp…

The refractive index of an optical medium is essential for studying a variety of physical phenomena. One useful method for determining the refractive index of scalar materials (i.e, materials which are characterized by a scalar dielectric…

The availability of transistors capable of operating at low supply voltage is essential to improve the key performance metric of computing circuits, i.e., the number of operations per unit energy. In this paper, we propose a new device…

OpenRefine is a popular open-source data cleaning tool. It allows users to export a previously executed data cleaning workflow in a JSON format for possible reuse on other datasets. We have developed or2yw, a novel tool that maps a…

We derive a minimal low-energy model for Bernal bilayer graphene and related rhombohedral graphene multilayers at low electronic densities by constructing Wannier orbitals defined in real-space supercells of the original primitive cell.…

This paper provides an in-depth analysis of Wave Network, a novel token representation method derived from the Wave Network, designed to capture both global and local semantics of input text through wave-inspired complex vectors. In complex…

Electronic band structure is a cornerstone of condensed matter physics and materials science. Conventional methods like Wannier interpolation (WI), which are commonly used to interpolate band structures onto dense k-point grids, often…

We present the VASPKIT, a command-line program that aims at providing a powerful and user-friendly interface to perform high-throughput analysis of a variety of material properties from the raw data produced by the VASP code. It consists of…

Seniority is a useful way of organizing Hilbert space for strongly correlated systems. The exact zero-seniority wave function, doubly-occupied configuration interaction (DOCI), provides accurate results (given the right orbitals) for many…

The Schrieffer-Wolff transformation aims to solve degenerate perturbation problems and give an effective Hamiltonian that describes the low-energy dynamics of the exact Hamiltonian in the low-energy subspace of unperturbed Hamiltonian. This…

The recommender systems have long been investigated in the literature. Recently, users' implicit feedback like `click' or `browse' are considered to be able to enhance the recommendation performance. Therefore, a number of attempts have…

The newly developed "strongly constrained and appropriately normed" (SCAN) meta-generalized-gradient approximation (meta-GGA) can generally improve over the non-empirical Perdew-Burke-Ernzerhof (PBE) GGA not only for strong chemical…

This paper explores applying the wav2vec2 framework to speaker recognition instead of speech recognition. We study the effectiveness of the pre-trained weights on the speaker recognition task, and how to pool the wav2vec2 output sequence…

Quantum devices, which rely on quantum mechanical effects for their operation, may offer advantages, such as reduced dimensions, increased speed, and energy efficiency, compared to conventional devices. However, quantum phenomena are…

Quantum computers can potentially achieve an exponential speedup versus classical computers on certain computational tasks, as recently demonstrated in systems of superconducting qubits. However, these qubits have large footprints due to…

Trained on 680,000 hours of massive speech data, Whisper is a multitasking, multilingual speech foundation model demonstrating superior performance in automatic speech recognition, translation, and language identification. However, its…

A van der Waals (vdW) density functional was implemented in the mixed basis approach previously developed for studying two dimensional systems, in which the vdW interaction plays an important role. The basis functions here are taken to be…

We provide a prescription for constructing Hamiltonians representing the low energy physics of correlated electron materials with dynamically screened Coulomb interactions. The key feature is a renormalization of the hopping and…

We introduce the Rebound library that supports well-scoped term representations in Haskell and automates the definition of substitution, alpha-equivalence, and other operations that work with binding structures. The key idea of our design…

Vision-language modeling is rapidly increasing in popularity with an ever expanding list of available models. In most cases, these vision-language models have parameters in the tens of billions, which is necessary for some needs, but in…

Van der Waals (vdW) materials offer new ways to assemble artificial electronic media with properties controlled at the design stage, by combining atomically defined layers into interfaces and heterostructures. Their potential for…