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Despite their rich information content, electronic structure data amassed at high volumes in $ab$ $initio$ molecular dynamics simulations are generally under-utilized. We introduce a transferable high-fidelity neural network representation…

Materials Science · Physics 2022-02-22 Qiangqiang Gu , Linfeng Zhang , Ji Feng

Hamiltonian neural networks (HNNs) are state-of-the-art models that regress the vector field of a dynamical system under the learning bias of Hamilton's equations. A recent observation is that embedding a bias regarding the additive…

Machine Learning · Computer Science 2024-08-16 Zi-Yu Khoo , Dawen Wu , Jonathan Sze Choong Low , Stéphane Bressan

The power of machine learning (ML) provides the possibility of analyzing experimental measurements with an unprecedented sensitivity. However, it still remains challenging to probe the subtle effects directly related to physical observables…

Quantum Gases · Physics 2021-10-19 Entong Zhao , Jeongwon Lee , Chengdong He , Zejian Ren , Elnur Hajiyev , Junwei Liu , Gyu-Boong Jo

We consider 1D lattices described by Hubbard or Bose-Hubbard models, in the presence of periodic high-frequency perturbations, such as uniform ac force or modulation of hopping coefficients. Effective Hamiltonians for interacting particles…

Other Condensed Matter · Physics 2015-08-18 A. P. Itin , M. I. Katsnelson

We develop a structured theoretical framework used in our recent articles [Eur. Phys. J. B 92, 93 (2019) and Phys. Rev. B 101, 094427 (2020)] to characterize the unusual behavior of the magnetic spectrum, magnetization and magnetic…

Strongly Correlated Electrons · Physics 2022-05-19 M. Georgiev , H. Chamati

We consider the mapping of tight-binding electronic structure theory to a local spin Hamiltonian, based on the adiabatic approximation for spin degrees of freedom in itinerant-electron systems. Local spin Hamiltonians are introduced in…

We consider the extended Hubbard model and introduce a corresponding Heisenberg-like problem written in terms of spin operators. The derived formalism is reminiscent of Anderson's idea of the effective exchange interaction and takes into…

Strongly Correlated Electrons · Physics 2018-07-25 E. A. Stepanov , S. Brener , F. Krien , M. Harland , A. I. Lichtenstein , M. I. Katsnelson

Quantum-mechanical correlations of interacting fermions result in the emergence of exotic phases. Magnetic phases naturally arise in the Mott-insulator regime of the Fermi-Hubbard model, where charges are localized and the spin degree of…

Mesoscale and Nanoscale Physics · Physics 2021-11-18 C. J. van Diepen , T. -K. Hsiao , U. Mukhopadhyay , C. Reichl , W. Wegscheider , L. M. K. Vandersypen

We present a technique to map an electronic model with local interactions (a generalized multi-orbital Hubbard model) onto an effective model of interacting classical spins, by requiring that the thermodynamic potentials associated to spin…

Strongly Correlated Electrons · Physics 2015-05-27 Andrea Secchi , Alexander I. Lichtenstein , Mikhail I. Katsnelson

In this review we discuss the latest results concerning development of the machine learning algorithms for characterization of the magnetic skyrmions that are topologically-protected magnetic textures originated from the…

Strongly Correlated Electrons · Physics 2023-04-06 Vladimir V. Mazurenko , Ilia A. Iakovlev , Oleg M. Sotnikov , Mikhail I. Katsnelson

The Hamiltonian formalism plays a central role in classical and quantum physics. Hamiltonians are the main tool for modelling the continuous time evolution of systems with conserved quantities, and they come equipped with many useful…

Machine Learning · Computer Science 2020-02-17 Peter Toth , Danilo Jimenez Rezende , Andrew Jaegle , Sébastien Racanière , Aleksandar Botev , Irina Higgins

Hybrid machine learning based on Hamiltonian formulations has recently been successfully demonstrated for simple mechanical systems, both energy conserving and not energy conserving. We introduce a pseudo-Hamiltonian formulation that is a…

Machine Learning · Computer Science 2023-02-15 Sølve Eidnes , Alexander J. Stasik , Camilla Sterud , Eivind Bøhn , Signe Riemer-Sørensen

We discuss the spin excitations in systems with hopping electron conduction and strong position disorder. We focus on the problem in a strong magnetic field when the spin Hamiltonian can be reduced to the effective single-particle…

Disordered Systems and Neural Networks · Physics 2016-08-24 A. V. Shumilin

Topological spin textures in magnetic materials such as skyrmions and hopfions are interesting manifestations of geometric structures in real materials, concurrently having potential applications as information carriers. In the crystalline…

Materials Science · Physics 2023-11-15 Temuujin Bayaraa , Sinéad M. Griffin

There has been a wave of interest in applying machine learning to study dynamical systems. We present a Hamiltonian neural network that solves the differential equations that govern dynamical systems. This is an equation-driven machine…

Computational Physics · Physics 2022-07-01 Marios Mattheakis , David Sondak , Akshunna S. Dogra , Pavlos Protopapas

We consider a half-filled system of spin-1/2 fermions on a triangular ladder with spin-dependent hopping in the presence of spin-dependent flux. Using the Schrieffer-Wolff transformation, we derive an effective spin Hamiltonian describing…

Strongly Correlated Electrons · Physics 2026-03-11 Shota Garuchava , Bachana Beradze , Tatia Sharia , George I. Japaridze

Recently, Hamiltonian neural networks (HNN) have been introduced to incorporate prior physical knowledge when learning the dynamical equations of Hamiltonian systems. Hereby, the symplectic system structure is preserved despite the…

Machine Learning · Computer Science 2023-06-07 Eva Dierkes , Christian Offen , Sina Ober-Blöbaum , Kathrin Flaßkamp

Scanning probe microscopy and spectroscopy, and more recently in combination with electron spin resonance, have allowed the direct observation of electron dynamics on the single-atom limit. The interpretation of data is strongly depending…

Mesoscale and Nanoscale Physics · Physics 2020-07-01 C. Wolf , F. Delgado , J. Reina , N. Lorente

Spin tunneling in the particular case of the magnetic molecular cluster octanuclear iron(III), Fe8, is treated by an effective Hamiltonian that allows for an angle-based description of the process. The presence of an external magnetic field…

Quantum Physics · Physics 2009-11-13 D. Galetti , E. C. Silva

Complex spin-spin interactions in magnets can often lead to magnetic superlattices with complex local magnetic arrangements, and many of the magnetic superlattices have been found to possess non-trivial topological electronic properties.…

Materials Science · Physics 2023-06-05 Yang Zhong , Binhua Zhang , Hongyu Yu , Xingao Gong , Hongjun Xiang