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The emergent behavior of quantum materials is governed by their electronic structure, which can be experimentally probed by photoemission spectroscopy techniques that generate a four-dimensional dataset of energy and momentum. However, the…

Strongly Correlated Electrons · Physics 2026-03-18 Yu Zhang , Yong Zhong , Nhat Huy Tran , Shuyi Li , Kyuho Lee , Yonghun Lee , Tiffany C. Wang , Harold Y. Hwang , Zhi-Xun Shen , Chunjing Jia

Hamiltonian parameter estimation is crucial in condensed matter physics, but time and cost consuming in terms of resources used. With advances in observation techniques, high-resolution images with more detailed information are obtained,…

Disordered Systems and Neural Networks · Physics 2019-11-15 Dingchen Wang , Songrui Wei , Anran Yuan , Fanghua Tian , Kaiyan Cao , Qizhong Zhao , Dezhen Xue , Sen Yang

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

We build upon recent work on using Machine Learning models to estimate Hamiltonian parameters using continuous weak measurement of qubits as input. We consider two settings for the training of our model: (1) supervised learning where the…

Quantum Physics · Physics 2025-02-17 Kris Tucker , Amit Kiran Rege , Conor Smith , Claire Monteleoni , Tameem Albash

Through periodic Training we can gradually buildup a reproducible responses in a disordered system where plasticity dominates over elasticity as is known in classical amorphous materials and soft matter 1, 6. Here we show that a similar…

Mesoscale and Nanoscale Physics · Physics 2026-01-01 Madhuri Mukhopadhyay

Recent advancements in quantum hardware and classical computing simulations have significantly enhanced the accessibility of quantum system data, leading to an increased demand for precise descriptions and predictions of these systems.…

Quantum Physics · Physics 2025-03-31 Zheng An , Jiahui Wu , Zidong Lin , Xiaobo Yang , Keren Li , Bei Zeng

Efficiently characterising quantum systems, verifying operations of quantum devices and validating underpinning physical models, are central challenges for the development of quantum technologies and for our continued understanding of…

Extracting Hamiltonian parameters from available experimental data is a challenge in quantum materials. In particular, real-space spectroscopy methods such as scanning tunneling spectroscopy allow probing electronic states with atomic…

Mesoscale and Nanoscale Physics · Physics 2024-01-23 Maryam Khosravian , Rouven Koch , Jose L. Lado

Predicting optoelectronic properties of large-scale atomistic systems under realistic conditions is crucial for rational materials design, yet computationally prohibitive with first-principles simulations. Recent neural network models have…

Materials Science · Physics 2026-02-10 Martin Schwade , Shaoming Zhang , Frederik Vonhoff , Frederico P. Delgado , David A. Egger

Interest in quantum machine learning is increasingly growing due to its potential to offer more efficient solutions for problems that are difficult to tackle with classical methods. In this context, the research work presented here focuses…

Quantum Physics · Physics 2025-04-11 A. De Lorenzis , M. P. Casado , M. P. Estarellas , N. Lo Gullo , T. Lux , F. Plastina , A. Riera , J. Settino

The marriage of density functional theory (DFT) and deep learning methods has the potential to revolutionize modern computational materials science. Here we develop a deep neural network approach to represent DFT Hamiltonian (DeepH) of…

Materials Science · Physics 2023-01-02 He Li , Zun Wang , Nianlong Zou , Meng Ye , Runzhang Xu , Xiaoxun Gong , Wenhui Duan , Yong Xu

Characterizing quantum many-body systems is a fundamental problem across physics, chemistry, and materials science. While significant progress has been made, many existing Hamiltonian learning protocols demand digital quantum control over…

Quantum Physics · Physics 2025-10-10 Sitan Chen , Jordan Cotler , Hsin-Yuan Huang

Hamiltonian learning (HL), enabling precise estimation of system parameters and underlying dynamics, plays a critical role in characterizing quantum systems. However, conventional HL methods face challenges in noise robustness and resource…

Quantum Physics · Physics 2025-11-07 Jie Liu , Xin Wang

Machine learning has made important headway in helping to improve the treatment of quantum many-body systems. A domain of particular relevance are correlated inhomogeneous systems. What has been missing so far is a general, scalable…

Quantum Physics · Physics 2026-02-10 Alex Blania , Sandro Herbig , Fabian Dechent , Evert van Nieuwenburg , Florian Marquardt

Scanning probe experiments such as scanning tunneling microscopy (STM) and atomic force microscopy (AFM) on strongly correlated electronic systems often reveal complex pattern formation on multiple length scales. By studying the universal…

Strongly Correlated Electrons · Physics 2019-04-03 L. Burzawa , Shuo Liu , E. W. Carlson

Realizing large materials models has emerged as a critical endeavor for materials research in the new era of artificial intelligence, but how to achieve this fantastic and challenging objective remains elusive. Here, we propose a feasible…

Hamiltonian systems with multiple timescales arise in molecular dynamics, classical mechanics, and theoretical physics. Long-time numerical integration of such systems requires resolving fast dynamics with very small time steps, which…

Numerical Analysis · Mathematics 2025-10-30 Rui Fang , Richard Tsai

Quantum process characterization is a fundamental task in quantum information processing, yet conventional methods, such as quantum process tomography, require prohibitive resources and lack scalability. Here, we introduce an efficient…

Quantum Physics · Physics 2025-04-11 Yusen Wu , Yukun Zhang , Chuan Wang , Xiao Yuan

Nanoscale engineered spin systems, ranging from spins on surfaces to nanographenes, provide flexible platforms to realize entangled quantum magnets from a bottom up approach. However, assessing the quantum many-body Hamiltonian realized in…

Mesoscale and Nanoscale Physics · Physics 2025-10-22 Netta Karjalainen , Greta Lupi , Rouven Koch , Adolfo O. Fumega , Jose L. Lado

The construction of the Hamiltonian matrix \textbf{H} is an essential, yet computationally expensive step in \textit{ab-initio} device simulations based on density-functional theory (DFT). In homogeneous structures, the fact that a unit…

Disordered Systems and Neural Networks · Physics 2026-02-03 Chen Hao Xia , Manasa Kaniselvan , Marko Mladenoivić , Mathieu Luisier
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