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Gradient-based inverse design in photonics has already achieved remarkable results in designing small-footprint, high-performance optical devices. The adjoint variable method, which allows for the efficient computation of gradients, has…

In machine learning and molecular design, there exist two approaches: discriminative and generative. In the discriminative approach dubbed forward design, the goal is to map a set of features/molecules to their respective electronics…

Chemical Physics · Physics 2019-04-24 Alain Tchagang , Julio Valdés

The unprecedented predictive success of deep generative models in complex many-body systems, such as AlphaFold3, raises an epistemological question: do these networks merely memorize data distributions via high-dimensional interpolation, or…

Disordered Systems and Neural Networks · Physics 2026-05-18 Wenjie Xi , Wei-Qiang Chen

The capabilities of image probe experiments are rapidly expanding, providing new information about quantum materials on unprecedented length and time scales. Many such materials feature inhomogeneous electronic properties with intricate…

Strongly Correlated Electrons · Physics 2023-05-12 S. Basak , M. Alzate Banguero , L. Burzawa , F. Simmons , P. Salev , L. Aigouy , M. M. Qazilbash , I. K. Schuller , D. N. Basov , A. Zimmers , E. W. Carlson

Hamiltonian inverse engineering enables the design of protocols for specific quantum evolutions or target state preparation. Perfect state transfer (PST) and remote entanglement generation are notable examples, as they serve as key…

A memetic framework for optimal inverse design is proposed by combining a local gradient-based procedure and a robust global scheme. The procedure is based on method-of-moments matrices and does not demand full inversion of a system matrix.…

Optimization and Control · Mathematics 2023-10-10 Miloslav Capek , Lukas Jelinek , Petr Kadlec , Mats Gustafsson

We generalize the quantum adiabatic theorem to the non-Hermitian system and build a rigorous adiabaticity condition with respect to the adiabatic phase. The non-Hermitian Hamiltonian inverse engineering method is proposed for the purpose to…

Quantum Physics · Physics 2016-11-30 Qi-Cheng Wu , Ye-Hong Chen , Bi-Hua Huang , Yan Xia , Jie Song

Traditional computational methods for studying quantum many-body systems are "forward methods," which take quantum models, i.e., Hamiltonians, as input and produce ground states as output. However, such forward methods often limit one's…

Strongly Correlated Electrons · Physics 2018-07-31 Eli Chertkov , Bryan K. Clark

While altermagnetic materials are characterized by a vanishing net magnetic moment, their symmetry in principle allows for the existence of an anomalous Hall effect (AHE). Here we introduce a model with altermagnetism in which the emergence…

Strongly Correlated Electrons · Physics 2024-09-05 Toshihiro Sato , Sonia Haddad , Ion Cosma Fulga , Fakher F. Assaad , Jeroen van den Brink

As one of paradigmatic phenomena in condensed matter physics, the quantum anomalous Hall effect (QAHE) in stoichiometric Chern insulators has drawn great interest for years. By using model Hamiltonian analysis and first-principle…

Mesoscale and Nanoscale Physics · Physics 2019-09-04 Hongyi Sun , Bowen Xia , Zhongjia Chen , Yingjie Zhang , Pengfei Liu , Qiushi Yao , Hong Tang , Yujun Zhao , Hu Xu , Qihang Liu

Harnessing the rich nonlinear dynamics of highly-deformable materials has the potential to unlock the next generation of functional smart materials and devices. However, unlocking such potential requires effective strategies to spatially…

Developing inverse design methods for functional materials with specific properties is critical to advancing fields like renewable energy, catalysis, energy storage, and carbon capture. Generative models based on diffusion principles can…

Materials Science · Physics 2026-05-19 Xiao-Qi Han , Peng-Jie Guo , Ze-Feng Gao , Hao Sun , Zhong-Yi Lu

Anomalous Hall Effect (AHE) response in magnetic systems is typically proportional to an out-of-plane magnetization component because of the restriction imposed by system symmetries, which demands that the magnetization, applied electric…

Artificial intelligence (AI) is transforming materials science, enabling both theoretical advancements and accelerated materials discovery. Recent progress in crystal generation models, which design crystal structures for targeted…

Materials Science · Physics 2025-02-25 Zhuoyuan Li , Siyu Liu , Beilin Ye , David J. Srolovitz , Tongqi Wen

Optical devices lie at the heart of most of the technology we see around us. When one actually wants to make such an optical device, one can predict its optical behavior using computational simulations of Maxwell's equations. If one then…

Machine Learning · Computer Science 2022-02-09 Joeri Lenaerts , Hannah Pinson , Vincent Ginis

The ultimate aim of the study is to explore the inverse design of porous metamaterials using a deep learning-based generative framework. Specifically, we develop a property-variational autoencoder (pVAE), a variational autoencoder (VAE)…

Machine Learning · Computer Science 2025-07-25 Phu Thien Nguyen , Yousef Heider , Dennis M. Kochmann , Fadi Aldakheel

The discovery of advanced materials is the cornerstone of human technological development and progress. The structures of materials and their corresponding properties are essentially the result of a complex interplay of multiple degrees of…

Materials Science · Physics 2025-02-21 Xiao-Qi Han , Xin-De Wang , Meng-Yuan Xu , Zhen Feng , Bo-Wen Yao , Peng-Jie Guo , Ze-Feng Gao , Zhong-Yi Lu

We introduce a new method for inverse design of nanophotonic devices which guarantees that resulting designs satisfy strict length scale constraints - including minimum width and spacing constraints required by commercial semiconductor…

Emerging Technologies · Computer Science 2022-07-26 Martin F. Schubert , Alfred K. C. Cheung , Ian A. D. Williamson , Aleksandra Spyra , David H. Alexander

One emerging approach for the fabrication of complex architectures on the nanoscale is to utilize particles customized to intrinsically self-assemble into a desired structure. Inverse methods of statistical mechanics have proven…

Materials Science · Physics 2017-09-08 R. B. Jadrich , B. A. Lindquist , T. M. Truskett

The quantum anomalous Hall effect (QAHE) in magnetic topological insulators offers great potential to revolutionize quantum electrical metrology by establishing primary resistance standards operating at zero external magnetic field and…