相关论文: Machine-learned impurity level prediction for semi…

In context of the universal presence of defects in additively manufactured (AM) metals, efficient computational tools are required to rapidly screen AM microstructures for mechanical integrity. To this end, a deep learning approach is used…

We introduce machine learning (ML) models that predict the electronic structure of materials across a wide temperature range. Our models employ neural networks and are trained on density functional theory (DFT) data. Unlike most other ML…

The standard treatment of impurities in metals assumes a homogeneous distribution of impurities. In this paper we study distributions that are inhomogeneous. We discuss in detail the "isotropic inhomogeneous scattering model" which takes…

Data driven generative machine learning models have recently emerged as one of the most promising approaches for new materials discovery. While the generator models can generate millions of candidates, it is critical to train fast and…

Machine learning (ML) methods are becoming integral to scientific inquiry in numerous disciplines, such as material sciences. In this manuscript, we demonstrate how ML can be used to predict several properties in solid-state chemistry, in…

Owing to its high scalability and computational efficiency, machine learning methods have been increasingly integrated into various scientific research domains, including ab initio-based materials design. It has been demonstrated that, by…

Network intrusion detection systems (NIDSs) play an important role in computer network security. There are several detection mechanisms where anomaly-based automated detection outperforms others significantly. Amid the sophistication and…

We review recent machine-learning (ML) approaches for point defects in non-metallic materials, with an emphasis on defect formation energies. Existing studies largely fall into two categories: direct ML models that predict defect energetics…

With the rapid development of artificial intelligence and autonomous driving technology, the demand for semiconductors is projected to rise substantially. However, the massive expansion of semiconductor manufacturing and the development of…

Defects dictate the properties of many functional materials. To understand the behaviour of defects and their impact on physical properties, it is necessary to identify the most stable defect geometries. However, global structure searching…

In this study, we present a sophisticated hybrid machine-learning framework that significantly improves the accuracy of predicting hydrogen storage capacities in metal hydrides. This is a critical challenge due to the scarcity of…

The increasing prevalence of marine pollution during the past few decades motivated recent research to help ease the situation. Typical water quality assessment requires continuous monitoring of water and sediments at remote locations with…

Halide perovskites exhibit unpredictable properties in response to environmental stressors, due to several composition-dependent degradation mechanisms. In this work, we apply data visualization and machine learning (ML) techniques to…

In materials with strong local Coulomb interactions, simple defects such as atomic substitutions strongly affect both macroscopic and local properties of the system. A nonmagnetic impurity, for instance, is seen to induce magnetism nearby.…

In this work, we employ a machine-learning-assisted high-throughput density functional theory framework to systematically investigate the stability, electronic structure, and magnetic ground states of 234 M$_4$X$_3$T$_x$ MXenes. The machine…

We employ a descriptor based machine-learning approach to assess the effect of chemical alloying on formation-enthalpy of rare-earth intermetallics. Application of machine-learning approaches in rare-earth intermetallic design have been…

Continual shrinking of pattern dimensions in the semiconductor domain is making it increasingly difficult to inspect defects due to factors such as the presence of stochastic noise and the dynamic behavior of defect patterns and types.…

We calculate superfluid density for a dirty d-wave superconductor. The effects of impurity scattering are treated within the self-consistent t-matrix approximation, in weak-coupling BCS theory. Working from a realistic tight-binding…

As computer networks proliferate, the gravity of network intrusions has escalated, emphasizing the criticality of network intrusion detection systems for safeguarding security. While deep learning models have exhibited promising results in…

Lattice thermal conductivity (TC) of semiconductors is crucial for various applications, ranging from microelectronics to thermoelectrics. Data-driven approach can potentially establish the critical composition-property relationship needed…