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We describe N-body networks, a neural network architecture for learning the behavior and properties of complex many body physical systems. Our specific application is to learn atomic potential energy surfaces for use in molecular dynamics…

机器学习 · 计算机科学 2018-03-06 Risi Kondor

The attention mechanism has transformed artificial intelligence research by its ability to learn relations between objects. In this work, we explore how a many-body wavefunction ansatz constructed from a large-parameter self-attention…

强关联电子 · 物理学 2025-07-15 Max Geier , Khachatur Nazaryan , Timothy Zaklama , Liang Fu

With the evolution of numerical methods, we are now aiming at not only qualitative understanding but also quantitative prediction and design of quantum many-body phenomena. As a novel numerical approach, machine learning techniques have…

强关联电子 · 物理学 2024-12-20 Yusuke Nomura , Masatoshi Imada

The present work discusses the possibility to realize correlated disorder in electrical circuits and studies the localization phenomena in terms of two-port impedance. The correlated disorder is incorporated using the Aubry-Andr\'{e}-Harper…

无序系统与神经网络 · 物理学 2023-10-16 Sudin Ganguly , Santanu K. Maiti

Quantum particles co-propagating on disordered lattices develop complex non-classical correlations due to an interplay between quantum statistics, inter-particle interactions, and disorder. Here we present a deep learning algorithm based on…

量子物理 · 物理学 2022-02-01 Miri Kenig , Yoav Lahini

A one-dimensional model of electrons locally coupled to spin-1/2 degrees of freedom is studied by numerical techniques. The model is one in the class of $dynamic$ $Hubbard$ $models$ that describe the relaxation of an atomic orbital upon…

强关联电子 · 物理学 2009-11-07 J. E. Hirsch

The Hubbard model provides a simple framework in which one can study how certain aspects of the electronic structure of strongly interacting systems can be tuned to optimize the superconducting pairing correlations and how these changes…

超导电性 · 物理学 2022-03-02 Thomas A. Maier , Elbio Dagotto

The two-band Hubbard model is used to analyze a possibility of a non-uniform charge distribution in a strongly correlated electron system with two types of charge carriers. It is demonstrated that in the limit of strong on-site Coulomb…

强关联电子 · 物理学 2009-11-13 A. O. Sboychakov , K. I. Kugel , A. L. Rakhmanov

In this paper, we use recent breakthroughs in the study of coupled subwavelength resonator systems to reveal new insight into the mechanisms responsible for the fundamental features of Anderson localization. The occurrence strong…

无序系统与神经网络 · 物理学 2023-07-21 Habib Ammari , Bryn Davies , Erik Orvehed Hiltunen

Obtaining the atomistic structure and dynamics of disordered condensed phase systems from first principles remains one of the forefront challenges of chemical theory. Here we exploit recent advances in periodic electronic structure to show…

Quantum many-body methods provide a systematic route to computing electronic properties of molecules and materials, but high computational costs restrict their use in large-scale applications. Due to the complexity in many-electron…

In this work we introduce the Dual Boson Diagrammatic Monte Carlo technique for strongly interacting electronic systems. This method combines the strength of dynamical mean-filed theory for non-perturbative description of local correlations…

强关联电子 · 物理学 2020-11-06 M. Vandelli , V. Harkov , E. A. Stepanov , J. Gukelberger , E. Kozik , A. Rubio , A. I. Lichtenstein

We introduce a computational scheme for calculating the electronic structure of random alloys that includes electronic correlations within the framework of the combined density functional and dynamical mean-field theory. By making use of…

强关联电子 · 物理学 2018-12-26 A. Östlin , L. Vitos , L. Chioncel

Momentum dependent local-ansatz wavefunction approach (MLA) to the correlated electron systems in solids has been further developed to solve best a self-consistent equation for variational parameters at non half-filling. With use of the…

强关联电子 · 物理学 2015-05-30 M. Atiqur R. Patoary , Yoshiro Kakehashi

Deep learning techniques have opened a new venue for electronic structure theory in recent years. In contrast to traditional methods, deep neural networks provide much more expressive and flexible wave function ansatz, resulting in better…

化学物理 · 物理学 2021-09-08 Xiang Li , Cunwei Fan , Weiluo Ren , Ji Chen

Random electron systems show rich phases such as Anderson insulator, diffusive metal, quantum and anomalous quantum Hall insulator, Weyl semimetal, as well as strong/weak topological insulators. Eigenfunctions of each matter phase have…

无序系统与神经网络 · 物理学 2016-11-21 Tomoki Ohtsuki , Tomi Ohtsuki

We study a simple model for $f$-electron systems, the three-dimensional periodic Anderson model, in which localized $f$ states hybridize with neighboring $d$ states. The $f$ states have a strong on-site repulsion which suppresses the double…

强关联电子 · 物理学 2009-11-07 Thereza Paiva , Gokhan Esirgen , Richard T. Scalettar , Carey Huscroft , A. K. McMahan

In molecular simulations, machine-learning force fields can achieve ab initio accuracy at a lower cost but remain limited in the explicit modeling of electrons. In this work, we develop an electron-aware machine-learning force field, in…

化学物理 · 物理学 2025-12-01 Ruiqi Gao , Pinchen Xie , Roberto Car

The Hubbard on-site repulsion $U$ between opposite spin electrons on the same atomic orbital is widely regarded to be the most important source of electronic correlation in solids. Here we extend the Hubbard model to account for the fact…

强关联电子 · 物理学 2009-11-07 J. E. Hirsch

A novel hybrid scheme is proposed. The {\it ab initio} LDA calculation is used to construct the Wannier functions and obtain single electron and Coulomb parameters of the multiband Hubbard-type model. In strong correlation regime the…