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Machine learning models can assist with metamaterials design by approximating computationally expensive simulators or solving inverse design problems. However, past work has usually relied on black box deep neural networks, whose reasoning…

Machine Learning · Computer Science 2022-10-04 Zhi Chen , Alexander Ogren , Chiara Daraio , L. Catherine Brinson , Cynthia Rudin

Topological states of matter possess bulk electronic structures categorized by topological invariants and edge/surface states due to the bulk-boundary correspondence. Topological materials hold great potential in the development of…

Principles that predict reactions or properties of materials define the discipline of chemistry. In this work we derive chemical rules, based on atomic distances and chemical bond character, which predict topological materials in compounds…

We demonstrate a machine learning approach designed to extract hidden chemistry/physics to facilitate new materials discovery. In particular, we propose a novel method for learning latent knowledge from material structure data in which…

Materials Science · Physics 2021-08-03 Tien-Cuong Nguyen , Van-Quyen Nguyen , Van-Linh Ngo , Quang-Khoat Than , Tien-Lam Pham

High-entropy alloys are solid solutions of multiple principal elements, capable of reaching composition and feature regimes inaccessible for dilute materials. Discovering those with valuable properties, however, relies on serendipity, as…

Prediction and discovery of new materials with desired properties are at the forefront of quantum science and technology research. A major bottleneck in this field is the computational resources and time complexity related to finding new…

Moir\'e patterns made of two-dimensional (2D) materials represent highly tunable electronic Hamiltonians, allowing a wide range of quantum phases to emerge in a single material. Current modeling techniques for moir\'e electrons requires…

Mesoscale and Nanoscale Physics · Physics 2023-01-05 Diyi Liu , Mitchell Luskin , Stephen Carr

Two-dimensional (2D) magnetic materials empowered with nontrivial band topology may lead to the emergence of exotic quantum states with significant application potentials. Here we predict a family tree of 2D magnetic materials with tunable…

Materials Science · Physics 2021-12-22 Huisheng Zhang , Ping Cui , Xiaohong Xu , Zhenyu Zhang

Two-dimensional (2D) materials are promising candidates for next-generation spintronic devices due to their tunable properties and potential for efficient spin-charge interconversion. However, discovering materials with intrinsically high…

Materials Science · Physics 2025-12-25 Abhijeet J. Kale , Sanjeev S. Navaratna , Pratik Sahu , Henry Chan , B. R. K. Nanda , Rohit Batra

Topological insulators are new states of quantum matter which can not be adiabatically connected to conventional insulators and semiconductors. They are characterized by a full insulating gap in the bulk and gapless edge or surface states…

Mesoscale and Nanoscale Physics · Physics 2011-11-09 Xiao-Liang Qi , Shou-Cheng Zhang

Magnetically ordered materials tend to support bands of coherent propagating spin wave, or magnon, excitations. Topologically protected surface states of magnons offer a new path towards coherent spin transport for spintronics applications.…

Mesoscale and Nanoscale Physics · Physics 2023-05-31 Alberto Corticelli , Roderich Moessner , Paul A. McClarty

Topological band theory establishes a standardized framework for classifying different types of topological matters. Recent investigations have shown that hyperbolic lattices in non-Euclidean space can also be characterized by hyperbolic…

Mesoscale and Nanoscale Physics · Physics 2023-03-22 Weixuan Zhang , Fengxiao Di , Xingen Zheng , Houjun Sun , Xiangdong Zhang

We propose searching for Chern insulators by depositing atomic layers of elements with large spin-orbit coupling (e.g., Bi) on the surface of a magnetic insulator. We argue that such systems will typically have isolated surface bands with…

Materials Science · Physics 2013-04-16 Kevin F. Garrity , David Vanderbilt

Three dimensional (3D) topological insulators are novel states of quantum matter that feature spin-momentum locked helical Dirac fermions on their surfaces and hold promise to open new vistas in spintronics, quantum computing and…

Mesoscale and Nanoscale Physics · Physics 2010-07-30 Su-Yang Xu , L. A. Wray , Y. Xia , R. Shankar , A. Petersen , A. Fedorov , H. Lin , A. Bansil , Y. S. Hor , D. Grauer , R. J. Cava , M. Z. Hasan

Magnetic topological insulator provide a prominent material platform for quantum anomalous Hall physics and axion electrodynamics. However, the lack of material realizations with cleanly gapped surfaces hinders technological utilization of…

Materials Science · Physics 2022-06-28 Nicodemos Varnava , Tanya Berry , Tyrel M. McQueen , David Vanderbilt

The goal of most materials discovery is to discover materials that are superior to those currently known. Fundamentally, this is close to extrapolation, which is a weak point for most machine learning models that learn the probability…

Biomolecules · Quantitative Biology 2024-05-08 Hyunseung Kim , Haeyeon Choi , Dongju Kang , Won Bo Lee , Jonggeol Na

Phonons play a crucial role in many properties of solid state systems, such as thermal and electrical conductivity, neutron scattering and associated effects or superconductivity. Hence, it is expected that topological phonons will also…

Topological insulators are a novel state of matter that share a common feature: their spectral bands are associated with a nonlocal integer-valued index, commonly manifesting through quantized bulk phenomena and robust boundary effects. In…

Mesoscale and Nanoscale Physics · Physics 2020-07-01 Ioannis Petrides , Oded Zilberberg

Many-body physics of electron-electron correlations plays a central role in condensed mater physics, it governs a wide range of phenomena, stretching from superconductivity to magnetism, and is behind numerous technological applications. To…

Mesoscale and Nanoscale Physics · Physics 2023-06-09 Anupam Bhattacharya , Ivan Timokhin , Ratnamala Chatterjee , Qian Yang , Artem Mishchenko