相关论文: Chalcogen Impurity Barriers in 2D Systems via Semi…

Under extreme operating conditions, characterized by high particle multiplicity and heavily overlapping shower energy deposits, classical particle flow algorithms encounter pronounced limitations in resolution, efficiency, and accuracy. To…

This contribution presents a parameter identification methodology for the accurate and fast estimation of model parameters in a pseudo-two-dimensional (P2D) battery model. The methodology consists of three key elements. First, the data for…

Two-dimensional (2D) van der Waals semiconductors represent the thinnest, air stable semiconducting materials known. Their unique optical, electronic and mechanical properties hold great potential for harnessing them as key components in…

We demonstrate a method of making a very shallow, gateable, undoped 2-dimensional electron gas. We have developed a method of making very low resistivity contacts to these structures and systematically studied the evolution of the mobility…

2D semiconductors offer a promising pathway to replace silicon in next-generation electronics. Among their many advantages, 2D materials possess atomically-sharp surfaces and enable scaling the channel thickness down to the monolayer limit.…

The electron density of a molecule or material has recently received major attention as a target quantity of machine-learning models. A natural choice to construct a model that yields transferable and linear-scaling predictions is to…

Over the last few years, $ab~initio$ methods have become an increasingly popular tool to evaluate intrinsic carrier transport properties in 2D materials. The lack of experimental information, and the progress made in the development of DFT…

Molecular dynamics simulations combined with periodic electronic structure calculations are performed to decipher structural, thermodynamical and dynamical properties of the interfaced vs. confined water adsorbed in hexagonal 1D channels of…

Extreme ultraviolet (EUV) scatterometry is an increasingly important metrology that can measure critical parameters of periodic nanostructured materials in a fast, accurate, and repeatable manner and with high sensitivity to nanoscale…

Particle size measurement based on digital holography with conventional algorithms are usually time-consuming and susceptible to noises associated with hologram quality and particle complexity, limiting its usage in a broad range of…

Two types of approaches to modeling molecular systems have demonstrated high practical efficiency. Density functional theory (DFT), the most widely used quantum chemical method, is a physical approach predicting energies and electron…

(abridged) We develop an algorithm for estimating parameters of a distribution sampled with contamination, employing a statistical technique known as ``expectation maximization'' (EM). Given models for both member and contaminant…

The ultrawide-bandgap semiconductor $\beta$-Ga2O3 holds exceptional promise for next-generation power electronics and deep-ultraviolet optoelectronics, yet its widespread application is hindered by the lack of cost-effective, high-quality…

Most existing 3D shape datasets and models focus solely on geometry, overlooking the material properties that determine how objects appear. We introduce a two-stage large language model (LLM) based method for inferring material composition…

2D quantum confined hybrid materials are of great interest from a solid state physics standpoint because of the rich multibody phenomena hosted, their tunability and easy synthesis allowing to create material libraries. In addition, from a…

This paper investigates the optimization of 2D and 3D composite structures using machine learning (ML) techniques, focusing on fracture toughness and crack propagation in the Double Cantilever Beam (DCB) test. By exploring the intricate…

The next generation of particle physics experiments will face a new era of challenges in data acquisition, due to unprecedented data rates and volumes along with extreme environments and operational constraints. Harnessing this data for…

High-throughput screening has become one of the major strategies for the discovery of novel functional materials. However, its effectiveness is severely limited by the lack of quantity and diversity of known materials deposited in the…

Despite successful use in a wide variety of disciplines for data analysis and prediction, machine learning (ML) methods suffer from a lack of understanding of the reliability of predictions due to the lack of transparency and black-box…

We present a symmetry-based exhaustive approach to explore the structural and compositional richness of two-dimensional materials. We use a ``combinatorial engine'' that constructs potential compounds by occupying all possible Wyckoff…