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Band topology is both constrained and enriched by the presence of symmetry. The importance of anti-unitary symmetries such as time reversal was recognized early on leading to the classification of topological band structures based on the…

Strongly Correlated Electrons · Physics 2022-03-14 A. Corticelli , R. Moessner , P. A. McClarty

Artificial neural networks and machine learning have now reached a new era after several decades of improvement where applications are to explode in many fields of science, industry, and technology. Here, we use artificial neural networks…

Disordered Systems and Neural Networks · Physics 2017-11-23 Dong-Ling Deng , Xiaopeng Li , S. Das Sarma

A method to create a highly homogeneous magnetic field by applying topology optimized, additively manufactured shimming elements is investigated. The topology optimization algorithm can calculate a suitable permanent and nonlinear soft…

Applied Physics · Physics 2018-04-17 C. Huber , M. Goertler , F. Bruckner , C. Abert , I. Teliban , M. Groenefeld , D. Suess

Defects, and in particular topological defects, are architectural motifs that play a crucial role in natural materials. Here we provide a systematic strategy to introduce such defects in mechanical metamaterials. We first present…

Soft Condensed Matter · Physics 2020-03-18 Anne S. Meeussen , Erdal C. Oguz , Yair Shokef , Martin van Hecke

In traditional topology optimization, the computing time required to iteratively update the material distribution within a design domain strongly depends on the complexity or size of the problem, limiting its application in real engineering…

Computational Engineering, Finance, and Science · Computer Science 2024-05-14 Gabriel Garayalde , Matteo Torzoni , Matteo Bruggi , Alberto Corigliano

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

Since topological insulators were theoretically predicted and experimentally observed in semiconductors with strong spin-orbit coupling, more and more attention has been drawn to topological materials which host exotic surface states. These…

Mesoscale and Nanoscale Physics · Physics 2015-03-17 Yige Chen , Yuan-Ming Lu , Hae-Young Kee

The advent of material databases provides an unprecedented opportunity to uncover predictive descriptors for emergent material properties from vast data space. However, common reliance on high-throughput ab initio data necessarily inherits…

Significant progress in many classes of materials could be made with the availability of experimentally-derived large datasets composed of atomic identities and three-dimensional coordinates. Methods for visualizing the local atomic…

Machine learning potentials have emerged as a powerful tool to extend the time and length scales of first principles-quality simulations. Still, most machine learning potentials cannot distinguish different electronic spin orientations and…

Computational Physics · Physics 2022-01-25 Marco Eckhoff , Jörg Behler

The increasing availability of full-field displacement data from imaging techniques in experimental mechanics is determining a gradual shift in the paradigm of material model calibration and discovery, from using several simple-geometry…

Computational Engineering, Finance, and Science · Computer Science 2025-07-01 Saeid Ghouli , Moritz Flaschel , Siddhant Kumar , Laura De Lorenzis

With the emergence of new photonic and plasmonic materials with optimized properties as well as advanced nanofabrication techniques, nanophotonic devices are now capable of providing solutions to global challenges in energy conversion,…

For over 100 years, the group-theoretic characterization of crystalline solids has provided the foundational language for diverse problems in physics and chemistry. However, the group theory of crystals with commensurate magnetic order has…

Mesoscale and Nanoscale Physics · Physics 2021-10-18 Luis Elcoro , Benjamin J. Wieder , Zhida Song , Yuanfeng Xu , Barry Bradlyn , B. Andrei Bernevig

The "high-entropy" paradigm has been applied to a central challenge in materials science, the design of new functional materials with enhanced performance for targeted applications, with some notable successes over the last twenty years.…

Materials Science · Physics 2026-02-23 Christopher A. Mizzi , Osman El-Atwani , Tannor T. J. Munroe , Saryu Fensin , Boris Maiorov

The rapid advancement of machine learning and artificial intelligence (AI)-driven techniques is revolutionizing materials discovery, property prediction, and material design by minimizing human intervention and accelerating scientific…

Materials Science · Physics 2026-01-06 Dilshod Nematov , Mirabbos Hojamberdiev

Additive manufacturing has become one of the forefront technologies in fabrication, enabling new products impossible to manufacture before. Although many materials exist for additive manufacturing, they typically suffer from performance…

The expansiveness of compositional phase space is too vast to fully search using current theoretical tools for many emergent problems in condensed matter physics. The reliance on a deep chemical understanding is one method to identify local…

Superconductivity · Physics 2023-01-26 Lazar Novakovic , Ashkan Salamat , Keith V. Lawler

Machine learning has been effective at detecting patterns and predicting the response of systems that behave free of natural laws. Examples include learning crowd dynamics, recommender systems and autonomous mobility. There also have been…

Computational Physics · Physics 2018-12-05 Gregory Teichert , Krishna Garikipati

Designing topological materials with specific topological indices is a complex inverse problem, traditionally tackled through manual, intuition-driven methods that are neither scalable nor efficient for exploring the vast space of possible…

Mesoscale and Nanoscale Physics · Physics 2025-10-28 Samuel Bird , Chiara Devescovi , Pascal Engeler , Agnes Valenti , Doruk Efe Gökmen , Robin Worreby , Valerio Peri , Sebastian D. Huber

Combinatorial and guided screening of materials space with density-functional theory and related approaches has provided a wealth of hypothetical inorganic materials, which are increasingly tabulated in open databases. The OPTIMADE API is a…