Related papers: Beyond geometrical screening in predicting two-dim…
The family of MAX phases and their derivative MXenes are continuously growing in terms of both crystalline and composition varieties. In the last couple of years, several breakthroughs have been achieved that boosted the synthesis of novel…
Two-dimensional (2D) materials have emerged as a versatile and powerful platform for quantum technologies, offering atomic-scale control, strong quantum confinement, and seamless integration into heterogeneous device architectures. Their…
Efficient algorithms to generate candidate crystal structures with good stability properties can play a key role in data-driven materials discovery. Here we show that a crystal diffusion variational autoencoder (CDVAE) is capable of…
Two-dimensional (2D) van der Waals (vdW) materials and their bilayers have stimulated enormous interests in fundamental researches and technological applications. Recently, a group of 2D vdW III2-VI3 materials with out-of-plane…
We present a simple yet effective method for structure prediction of two-dimensional structures. The method is based on a combination of neural networks and evolutionary techniques. It allows finding pristine 2D structures as well as…
Our goal is to recognize material categories using images and geometry information. In many applications, such as construction management, coarse geometry information is available. We investigate how 3D geometry (surface normals, camera…
This article explores the recent advancements in atomically thin two-dimensional transition metal dichalcogenides (2D TMDs) and their potential applications in various fields, including nanoelectronics, photonics, sensing, energy storage,…
Van der Waals heterostructures (vdWHs) combine different layered materials with properties of interest,1 such as two-dimensional (2D) semimetals, semiconductors, magnets or superconductors. These heterostructures provide the possibility of…
The bulk phase of transition metal nitrides (TMNs) has long been a subject of extensive investigation due to their utility as coating materials, electrocatalysts, and diffusion barriers, attributed to their high conductivity and refractory…
Due to their chemical and structural diversity, nanoporous materials can be used in a wide variety of applications, including fluid separation, gas storage, heterogeneous catalysis, drug delivery, etc. Given the large and rapidly increasing…
We present a framework that explains the strong connection in 2D materials between mechanics and electronic structure, via dislocation theory. Within this framework, Moir\'e patterns created by layered 2D materials may be understood as…
Generative models aim to learn the distribution of observed data by generating new instances. With the advent of neural networks, deep generative models, including variational autoencoders (VAEs), generative adversarial networks (GANs), and…
Assembling atomic layers of van der Waals materials (vdW) combines the physics of two materials, offering opportunities for novel functional devices. Realization of this has been possible because of advancements in nanofabrication processes…
Discovery of two-dimensional materials with unique electronic, superior optoelectronic or intrinsic magnetic order have triggered worldwide interests among the fields of material science, condensed matter physics and device physics.…
We present a symmetry-based exhaustive approach to explore the structural and compositional richness of two-dimensional materials. We use a ``combinatorial engine'' that constructs potential compounds by occupying all possible Wyckoff…
The exploration of emerging materials physics and prospective applications of two-dimensional materials greatly relies on the growth control of their thickness, phases, morphologies and film-substrate interactions. Though substantial…
Moir\'e superlattices of tunable wavelengths and the further developed moir\'e of moir\'e systems, by artificially assembling two-dimensional (2D) van der Waals (vdW) materials as designed, have brought up a versatile toolbox to explore…
Two-dimensional (2D) Transition Metal Chalcogenides (TMCs) have attracted tremendous interest from both the scientific and technological communities due to their variety of properties and superior tunability through layer number,…
Van der Waals (vdW) materials, with their unique combination of electronic, optical, and magnetic properties, are emerging as promising platforms for exploring excitonic phenomena. Thus far, the choice of materials with exceptional…
Researchers have now achieved great success on dealing with 2D images using deep learning. In recent years, 3D computer vision and Geometry Deep Learning gain more and more attention. Many advanced techniques for 3D shapes have been…