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Development of next-generation electronic devices for applications call for the discovery of quantum materials hosting novel electronic, magnetic, and topological properties. Traditional electronic structure methods require expensive…

Computational Physics · Physics 2020-05-28 Hexin Bai , Peng Chu , Jeng-Yuan Tsai , Nathan Wilson , Xiaofeng Qian , Qimin Yan , Haibin Ling

Manipulating Hamiltonians governing physical systems has found a broad range of applications, from quantum chemistry to semiconductor design. In this work, we provide a new way of manipulating Hamiltonians, by transforming their eigenvalues…

Quantum Physics · Physics 2025-04-30 Tatsuki Odake , Hlér Kristjánsson , Philip Taranto , Mio Murao

Inverse design of metasurfaces for specific electromagnetic responses requires generating geometries that satisfy stringent spectral constraints while maintaining manufacturability. Conventional design methodologies rely on iterative…

Computer Vision and Pattern Recognition · Computer Science 2026-05-20 Vineetha Joy , Jamshed Palai , Satwik Sahoo , Anshuman Kumar , Amit Sethi , Hema Singh

Inverse design has greatly expanded nanophotonic devices and brought optimized performance. However, the use of inverse design for plasmonic structures has been challenging due to local field concentrations that can lead to errors in…

Computational Physics · Physics 2020-12-14 Zhou Zeng , Xianfan Xu

Amorphous (disordered) materials are solids that have shown great potential in various domains, including energy storage, thermal management, and advanced materials. Unlike crystalline materials that can be described by unit cells…

Machine Learning · Computer Science 2026-05-01 Yan Lin , Jilin Hu , N. M. Anoop Krishnan , Morten M. Smedskjaer

This paper describes an inverse shape design method for thermoelastic bodies. With a known equilibrium shape as input, the focus of this paper is the determination of the corresponding initial shape of a body undergoing thermal expansion or…

Numerical Analysis · Mathematics 2019-08-26 Florian Zwicke , Stefanie Elgeti

We study a trajectory-planning problem whose solution path evolves by means of a Lie group action and passes near a designated set of target positions at particular times. This is a higher-order variational problem in optimal control,…

Dynamical Systems · Mathematics 2014-03-05 Christopher L. Burnett , Darryl D. Holm , David M. Meier

Designing physical artifacts that serve a purpose - such as tools and other functional structures - is central to engineering as well as everyday human behavior. Though automating design has tremendous promise, general-purpose methods do…

The traditional goal of inverse self-assembly is to design interactions that drive particles toward a desired target structure. However, achieving successful self-assembly also requires tuning the thermodynamic conditions under which the…

Soft Condensed Matter · Physics 2025-06-16 Camilla Beneduce , Giuseppe Mastriani , Petr Šulc , Francesco Sciortino , John Russo

Amorphous materials are solids that lack long-range atomic order but possess complex short- and medium-range order. Unlike crystalline materials that can be described by unit cells containing few up to hundreds of atoms, amorphous materials…

Machine Learning · Computer Science 2026-04-01 Yan Lin , Jonas A. Finkler , Tao Du , Jilin Hu , Morten M. Smedskjaer

Quantum anomalous Hall effect, with a trademark of dissipationless chiral edge states for electronics/spintronics transport applications, can be realized in materials with large spin-orbit coupling and strong intrinsic magnetization. After…

Mesoscale and Nanoscale Physics · Physics 2021-01-05 Muhammad Nadeem , Alex R. Hamilton , Michael S. Fuhrer , Xiaolin Wang

The anomalous Hall effect has been front and center in solid state research and material science for over a century now, and the complex transport phenomena in nontrivial magnetic textures have gained an increasing amount of attention, both…

Mesoscale and Nanoscale Physics · Physics 2024-01-09 Jonathan Kipp , Fabian R. Lux , Thorben Pürling , Abigail Morrison , Stefan Blügel , Daniele Pinna , Yuriy Mokrousov

The quantum anomalous Hall effect, an exotic topological state first theoretically predicted by Haldane and recently experimentally observed, has attracted enormous interest for low-power-consumption electronics. In this work, we derived a…

Mesoscale and Nanoscale Physics · Physics 2017-08-11 Yizhou Liu , Yong Xu , Shou-Cheng Zhang , Wenhui Duan

By modifying and generalizing known supersymmetric models we are able to find four different sets of one-dimensional Hamiltonians for the inverted harmonic oscillator. The first set of Hamiltonians is derived by extending the supersymmetric…

High Energy Physics - Theory · Physics 2019-02-05 R. D. Mota , D. Ojeda-Guillén , M. Salazar-Ramírez , V. D. Granados

Identifying model Hamiltonians is a vital step toward creating predictive models of materials. Here, we combine Bayesian optimization with the EDRIXS numerical package to infer Hamiltonian parameters from resonant inelastic X-ray scattering…

Strongly Correlated Electrons · Physics 2025-10-30 Marton K. Lajer , Xin Dai , Kipton Barros , Matthew R. Carbone , S. Johnston , M. P. M. Dean

Under some initial and boundary conditions, the rapid reaction-thermal diffusion process taking place during frontal polymerization (FP) destabilizes the planar mode of front propagation, leading to spatially varying, complex hierarchical…

Computational Physics · Physics 2024-11-01 Qibang Liu , Pengfei Cai , Diab Abueidda , Sagar Vyas , Seid Koric , Rafael Gomez-Bombarelli , Philippe Geubelle

Hamiltonian systems are differential equations which describe systems in classical mechanics, plasma physics, and sampling problems. They exhibit many structural properties, such as a lack of attractors and the presence of conservation…

Numerical Analysis · Mathematics 2022-01-14 Christian Offen , Sina Ober-Blöbaum

Traditional lens design is a numerical and forward process based on ray tracing and aberration theory. This method has limitations because the initial configuration of the lens has to be specified and the aberrations of the lenses have to…

Optics · Physics 2016-03-18 Yang Lu , Vasudevan Lakshminarayanan

Inverse design of optical components based on adjoint sensitivity analysis has the potential to address the most challenging photonic engineering problems. However existing inverse design tools based on finite-difference-time-domain (FDTD)…

Optics · Physics 2024-05-20 Dodd Gray , Gavin N. West , Rajeev J. Ram

Valley photonic crystals (VPCs) offer topological kink states that ensure robust, unidirectional, and backscattering-immune light propagation. The design of VPCs is typically based on analogies with condensed-matter topological insulators…