Related papers: CARBON-2D Topological Descriptor (C2DTD): An Inter…
Local atomic environment descriptors (LAEDs) are used in the materials science and chemistry communities, for example, for the development of machine learning interatomic potentials. Despite the fact that LAEDs have been extensively studied…
We investigate quantum transport in aligned carbon nanotube (CNT) fibers fabricated via solution spinning, focusing on the roles of structural dimensionality and quantum interference effects. The fibers exhibit metallic behavior at high…
Transition metal dichalcogenides (TMDs) represent an entire new class of semiconducting 2D materials with exciting properties. Defects in 2D TMDs can crucially affect their physical and chemical properties. However, characterization of the…
The stability of chemically complex nanoparticles is governed by an immense configurational space arising from heterogeneous local atomic environments across surface and interior regions. Efficiently identifying low-energy configurations…
Systematic enumeration of crystalline networks with some special topological characters is of considerable interest in both mathematics and crystallography. Based on the restriction of lattice in cubic and inequivalent nodes not exceeding…
Cohesive energies, energy-volume equations of states EOS, electron localization ELF maps, elastic constants, and band structures are reported for original octacarbon C8 three dimensional 3D and two-dimensional 2D chemical systems based on…
The advent of graphene has renewed the interest in other 2D carbon-based materials. Bhattacharya and Jana have proposed a new carbon allotrope, composed of different polygonal carbon rings containing 4, 5, 6, and 10 atoms, named…
Off-road environments remain significant challenges for autonomous ground vehicles, due to the lack of structured roads and the presence of complex obstacles, such as uneven terrain, vegetation, and occlusions. Traditional perception…
The simplest way to obtain thin carbon layers is to draw or rub with a graphite rod. During rubbing, forces of friction acting in graphite/substrate tribological system cause drastic changes in the structure of the interface stratum…
Text-attributed graphs (TAGs) present unique challenges in representation learning by requiring models to capture both the semantic richness of node-associated texts and the structural dependencies of the graph. While graph neural networks…
While 2D occupancy maps commonly used in mobile robotics enable safe navigation in indoor environments, in order for robots to understand and interact with their environment and its inhabitants representing 3D geometry and semantic…
Photon-Counting Computed Tomography (PCCT) is a novel imaging modality that simultaneously acquires volumetric data at multiple X-ray energy levels, generating separate volumes that capture energy-dependent attenuation properties.…
Graphdiyne-based carbon systems generate intriguing layered sp-sp$^2$ organometallic lattices, characterized by flexible acetylenic groups connecting planar carbon units through metal centers. At their thinnest limit, they can result in…
Topology optimization (TO) has been widely adopted in engineering design; however, it is prone to being trapped in local optima, particularly in strongly nonlinear problems. Sensitivity-free data-driven topology design (DDTD) offers a…
Graph neural networks are attractive for learning properties of atomic structures thanks to their intuitive graph encoding of atoms and bonds. However, conventional encoding does not include angular information, which is critical for…
Topology identification and inference of processes evolving over graphs arise in timely applications involving brain, transportation, financial, power, as well as social and information networks. This chapter provides an overview of graph…
Graphs as a type of data structure have recently attracted significant attention. Representation learning of geometric graphs has achieved great success in many fields including molecular, social, and financial networks. It is natural to…
Understanding the road genome is essential to realize autonomous driving. This highly intelligent problem contains two aspects - the connection relationship of lanes, and the assignment relationship between lanes and traffic elements, where…
Reports of metallic behavior in two-dimensional (2D) systems such as high mobility metal-oxide field effect transistors, insulating oxide interfaces, graphene, and MoS2 have challenged the well-known prediction of Abrahams, et al. that all…
We introduce Patchwork, a new general-purpose shape representation capable of modeling 2D and 3D geometry with a small number of parameters. Patchwork is grounded in a rigorous mathematical framework, providing provable complexity bounds…