相关论文: Digital Rock Typing DRT Algorithm Formulation with…
We introduce the Computational 2D Materials Database (C2DB), which organises a variety of structural, thermodynamic, elastic, electronic, magnetic, and optical properties of around 1500 two-dimensional materials distributed over more than…
Geologic cores are rock samples that are extracted from deep under the ground during the well drilling process. They are used for petroleum reservoirs' performance characterization. Traditionally, physical studies of cores are carried out…
The term defect tolerance (DT) is used often to rationalize the exceptional optoelectronic properties of Halide Perovskites (HaPs) and their devices. Even though DT lacked direct experimental evidence, it became a "fact" in the field. DT in…
Density functional theory (DFT) is the de facto approach for predicting self-consistent-field electronic structures of ground-state configurations of complex atoms, molecules, and solids and providing their property data for materials…
Crystal property prediction, governed by quantum mechanical principles, is computationally prohibitive to solve exactly for large many-body systems using traditional density functional theory. While machine learning models have emerged as…
The advancement of machine learning technologies has revolutionized the search and optimization of material properties. These algorithms often rely on theoretical calculations, such as density functional theory (DFT), for data inputs and…
Visual-Spatial Systems has become increasingly essential in concrete crack inspection. However, existing methods often lacks adaptability to diverse scenarios, exhibits limited robustness in image-based approaches, and struggles with curved…
Surface cracks on buildings, natural walls and underground mine tunnels can indicate serious structural integrity issues that threaten the safety of the structure and people in the environment. Timely detection and monitoring of cracks are…
With the growth of digital networks such as the Internet, digital media have been explosively developed in e-commerce and online services. This causes problems such as illegal copy and fake ownership. Watermarking is proposed as one of the…
Structure factors obtained from diffraction experiments are one of the most important quantities for characterizing the electronic and structural properties of materials. Methods for calculating this quantity from plane-wave density…
The Radon cumulative distribution transform (R-CDT), is an easy-to-compute feature extractor that facilitates image classification tasks especially in the small data regime. It is closely related to the sliced Wasserstein distance and…
While the ground state of magnetic materials is in general well described on the basis of spin density functional theory (SDFT), the theoretical description of finite-temperature and non-equilibrium properties require an extension beyond…
The outstanding optoelectronics and photovoltaic properties of metal halide perovskites, including high carrier motilities, low carrier recombination rates, and the tunable spectral absorption range are attributed to the unique electronic…
Automating the manipulation of granular materials poses significant challenges due to complex contact dynamics, unpredictable material properties, and intricate system states. Existing approaches often fail to achieve efficiency and…
Seismic wave velocity of underground rock plays important role in detecting internal structure of the Earth. Rock physics models have long been the focus of predicting wave velocity. However, construction of a theoretical model requires…
LiDAR-based 3D object detection models have traditionally struggled under rainy conditions due to the degraded and noisy scanning signals. Previous research has attempted to address this by simulating the noise from rain to improve the…
The prediction of the atomistic structure and properties of crystals including defects based on ab-initio accurate simulations is essential for unraveling the nano-scale mechanisms that control the micromechanical and macroscopic behaviour…
We present a differentiation framework for plane-wave density-functional theory (DFT) that combines the strengths of forward-mode algorithmic differentiation (AD) and density-functional perturbation theory (DFPT). In the resulting AD-DFPT…
The trade-off between image resolution and model field-of-view has long been a limitation for numerical simulations in digital rock models. A significant amount of sub-resolution pore space cannot be captured in the unresolved digital rock…
As a core step in structure-from-motion and SLAM, robust feature detection and description under challenging scenarios such as significant viewpoint changes remain unresolved despite their ubiquity. While recent works have identified the…