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The entanglement entropy probing novel phases and phase transitions numerically via quantum Monte Carlo has made great achievements in large-scale interacting spin/boson systems. In contrast, the numerical exploration in interacting fermion…
Compact and accurate wave functions can be constructed by quantum Monte Carlo methods. Typically, these wave functions consist of a sum of a small number of Slater determinants multiplied by a Jastrow factor. In this paper we study the…
Fermi level engineering and mechanical properties evolution in high entropy carbides are investigated by theoretical and experimental means. Massive elemental diversity in high entropy ceramics broadens the compositional space but imposes…
The free energy principle (FEP), as an encompassing framework and a unified brain theory, has been widely applied to account for various problems in fields such as cognitive science, neuroscience, social interaction, and hermeneutics. As a…
This work is directed to uncertainty quantification of homogenized effective properties for composite materials with complex, three dimensional microstructure. The uncertainties arise in the material parameters of the single constituents as…
Availability of affordable and widely applicable interatomic potentials is the key needed to unlock the riches of modern materials modelling. Artificial neural network based approaches for generating potentials are promising; however neural…
The quantum Monte Carlo (QMC) is one of the most promising many-body electronic structure approaches. It employs stochastic techniques for solving the stationary Schr\" odinger equation and for evaluation of expectation values. The key…
There can be numerous electronic components on a given PCB, making the task of visual inspection to detect defects very time-consuming and prone to error, especially at scale. There has thus been significant interest in automatic PCB…
Ensembles of deep neural networks demonstrate improved performance over single models. For enhancing the diversity of ensemble members while keeping their performance, particle-based inference methods offer a promising approach from a…
The state of the art in electromagnetic Finite Element Particle-in-Cell (EM-FEMPIC) has advanced significantly in the last few years. These have included understanding function spaces that must be used to represent sources and fields…
Electrocardiogram is a useful diagnostic signal that can detect cardiac abnormalities by measuring the electrical activity generated by the heart. Due to its rapid, non-invasive, and richly informative characteristics, ECG has many emerging…
Deep learning utilizing deep neural networks (DNNs) has achieved a lot of success recently in many important areas such as computer vision, natural language processing, and recommendation systems. The lack of convexity for DNNs has been…
Recently, FCNs have attracted widespread attention in the CD field. In pursuit of better CD performance, it has become a tendency to design deeper and more complicated FCNs, which inevitably brings about huge numbers of parameters and an…
The new {\em ab initio} quantum path integral Monte Carlo approach has been developed and applied for the entropy difference calculations for the strongly coupled degenerated uniform electron gas (UEG), a well--known model of simple metals.…
In this work, we characterize the performance of a deep convolutional neural network designed to detect and quantify chemical elements in experimental X-ray photoelectron spectroscopy data. Given the lack of a reliable database in…
The prediction of the electric field (E-field) plays a crucial role in monitoring radiofrequency electromagnetic field (RF-EMF) exposure induced by cellular networks. In this paper, a deep learning framework is proposed to predict E-field…
Exceptional points (EPs) in non-Hermitian systems have recently attracted wide interests and spawned intriguing prospects for enhanced sensing. However, EPs have not yet been realized in thermal atomic ensembles, which is one of the most…
In calculations of heavy-atom molecules with the shape-consistent Relativistic Effective Core Potential (RECP), only valence and some outer-core shells are treated explicitly, the shapes of spinors are smoothed in the atomic core regions…
CrCoNi medium-entropy alloys exhibit exceptional mechanical properties arising from pronounced chemical complexity, including short-range order (SRO), and low stacking fault energy, posing challenges for large-scale atomistic simulations.…
In this work, we present a study combining two approaches in the context of solving PDEs: the continuous finite element method (FEM) and more recent techniques based on neural networks. In recent years, physics-informed neural networks…