Related papers: PyCDT: A Python toolkit for modeling point defects…
In this work, we describe and demonstrate a novel Technology Computer Aided Design (TCAD) driven methodology to re-center room-temperature Process Design Kits (PDKs) for cryogenic operation using a limited set of experimental measurements.…
PyEOC is an open-source Python code for determining electro-optic (EO) coefficients of thin-film materials from the static and dynamic reflectivity measurements. It uses the experimental results, the transfer-matrix method and implements a…
A simplified density functional theory (DFT) method for charged adsorbates on an ultrathin, insulating film supported by a metal substrate is developed and presented. This new method is based on a previous DFT development that uses a…
Defect prediction has been a popular research topic where machine learning (ML) and deep learning (DL) have found numerous applications. However, these ML/DL-based defect prediction models are often limited by the quality and size of their…
Active Infrared thermography (AIRT) is a widely adopted non-destructive testing (NDT) technique for detecting subsurface anomalies in industrial components. Due to the high dimensionality of AIRT data, current approaches employ non-linear…
Defect depth quantification in additively manufactured (AM) components remains a significant challenge for non-destructive testing (NDT). This study proposes a Pixel-wise Quantitative Thermography Neural Network (PQT-Net) to address this…
Control of impurity concentrations in semiconducting materials is essential to device technology. Because of their intrinsic confinement, the properties of two-dimensional semiconductors such as transition metal dichalcogenides (TMDs) are…
Density functional theory (DFT) is an essential building block for modern theoretical physics, chemistry, and engineering, especially those concerning electronic properties. Through decades of development, various program packages for…
Technical Debt (TD) refers to the situation where developers make trade-offs to achieve short-term goals at the expense of long-term code quality, which can have a negative impact on the quality of software systems. In the context of code…
The systematic underestimation of band gaps is one of the most fundamental challenges in semilocal density functional theory (DFT). In addition to hindering the application of DFT to predicting electronic properties, the band gap problem is…
Point defects govern many important functional properties of two-dimensional (2D) materials. However, resolving the three-dimensional (3D) arrangement of these defects in multi-layer 2D materials remains a fundamental challenge, hindering…
In autonomous driving, 3D object detection based on multi-modal data has become an indispensable approach when facing complex environments around the vehicle. During multi-modal detection, LiDAR and camera are simultaneously applied for…
Point defects in semiconductors offer a promising platform for advancing quantum technologies due to their localized energy states and controllable spin properties. Prior research has focused on a limited set of defects within materials…
Modern IC complexity drives test pattern growth, with the majority of patterns targeting a small set of hard-to-detect (HTD) faults. This motivates new ATPG algorithms to improve test effectiveness specifically for HTD faults. This paper…
Most AI-for-Materials research to date has focused on ideal crystals, whereas real-world materials inevitably contain defects that play a critical role in modern functional technologies. The defects break geometric symmetry and increase…
Even the best quality 2D materials have non-negligible concentrations of vacancies and impurities. It is critical to understand and quantify how defects change intrinsic properties, and use this knowledge to generate functionality. This…
X-ray Thomson scattering (XRTS) constitutes an essential technique for diagnosing material properties under extreme conditions, such as high pressures and intense laser heating. Time-dependent density functional theory (TDDFT) is one of the…
PyUnfold is a Python package for incorporating imperfections of the measurement process into a data analysis pipeline. In an ideal world, we would have access to the perfect detector: an apparatus that makes no error in measuring a desired…
We present "torchGDM", a numerical framework for nano-optical simulations based on the Green's Dyadic Method (GDM). This toolkit combines a hybrid approach, allowing for both fully discretized nano-structures and structures approximated by…
Modeling semicoherent metal-metal interfaces has so far been performed using atomistic simulations based on semiempirical interatomic potentials. We demonstrate through more precise ab-initio calculations that key conclusions drawn from…