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We add the magnetic degrees of freedom to the widely used Gaussian Approximation Potential of machine learning (ML) and present a model that describes the potential energy surface of a crystal based on the atomic coordinates as well as…

Materials Science · Physics 2026-04-13 Yuqiang Gao , Menno Bokdam , Paul J. Kelly

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

We utilize simulations of electron scattering by a chain of dynamical quantum spins, to analyze the interplay between the spin transfer effect and the magnetization dynamics. We show that the complex interactions between the spin-polarized…

Materials Science · Physics 2021-04-21 Neil Tramsen , Alexander Mitrofanov , Sergei Urazhdin

Stochastic reaction network models are often used to explain and predict the dynamics of gene regulation in single cells. These models usually involve several parameters, such as the kinetic rates of chemical reactions, that are not…

Computation · Statistics 2020-01-07 Thomas A. Catanach , Huy D. Vo , Brian Munsky

Simulation Based Calibration (SBC) is applied to analyse two commonly used, competing Markov chain Monte Carlo algorithms for estimating the posterior distribution of a stochastic volatility model. In particular, the bespoke 'off-set…

Applications · Statistics 2024-02-21 Benjamin Wee

A statistical inference method is developed and tested for pairwise interacting systems whose degrees of freedom are continuous angular variables, such as planar spins in magnetic systems or wave phases in optics and acoustics. We…

Statistical Mechanics · Physics 2015-06-15 P. Tyagi , A. Pagnani , F. Antenucci , M. Ibáñez Berganza , L. Leuzzi

The probability distribution of the order parameter is exploited in order to obtain the criticality of magnetic systems. Monte Carlo simulations have been employed by using single spin flip Metropolis algorithm aided by finite-size scaling…

Statistical Mechanics · Physics 2015-06-24 P. H. L. Martins , J. A. Plascak

A realistic first-principle-based spin Hamiltonian is constructed for the type-II multiferroic NiI$_2$, using a symmetry-adapted cluster expansion method. Besides single ion anisotropy and isotropic Heisenberg terms, this model further…

Strongly Correlated Electrons · Physics 2023-07-24 Xuanyi Li , Changsong Xu , Boyu Liu , Xueyang Li , L. Bellaiche , Hongjun Xiang

We formulate a low-energy theory for the magnetic interactions between electrons in the multi-band Hubbard model under non-equilibrium conditions determined by an external time-dependent electric field which simulates laser-induced spin…

Strongly Correlated Electrons · Physics 2013-04-11 Andrea Secchi , Sergei Brener , Alexander I. Lichtenstein , Mikhail I. Katsnelson

Hamiltonian Monte Carlo is a widely used algorithm for sampling from posterior distributions of complex Bayesian models. It can efficiently explore high-dimensional parameter spaces guided by simulated Hamiltonian flows. However, the…

Computation · Statistics 2019-04-29 Lingge Li , Andrew Holbrook , Babak Shahbaba , Pierre Baldi

The magnetic susceptibility and spin-spin correlation of the double-exchange model for doped manganites are investigated through the Monte Carlo calculations on the three-dimensional lattice model. Deviations of the susceptibility from the…

Strongly Correlated Electrons · Physics 2009-10-31 Hongsuk Yi , N. H. Hur , Jaejun Yu

We show that by displacing two optical lattices with respect to each other, we may produce interactions similar to the ones describing ferro-magnetism in condensed matter physics. We also show that particularly simple choices of the…

Quantum Physics · Physics 2009-01-23 Anders Sorensen , Klaus Molmer

Bond-dependent magnetic interactions can generate exotic phases such as Kitaev spin-liquid states. Experimentally determining the values of bond-dependent interactions is a challenging but crucial problem. Here, I show that each…

Strongly Correlated Electrons · Physics 2021-01-04 Joseph A. M. Paddison

We demonstrate that the ``worm'' algorithm allows very effective and precise quantum Monte Carlo (QMC) simulations of spin systems in a magnetic field, and its auto-correlation time is rather insensitive to the value of H at low…

Strongly Correlated Electrons · Physics 2007-05-23 V. A. Kashurnikov , N. V. Prokof'ev , B. V. Svistunov , M. Troyer

Analytical calculations based on finite-size spin-wave theory and Monte Carlo (MC) simulations are performed to investigate the validity of the well-known relation m(H,T)=M(H,T)B_D[M(H,T)NH/T] between the induced magnetization m of the…

Statistical Mechanics · Physics 2016-08-31 H. Kachkachi , D. A. Garanin

Spin-dynamics techniques can now be used to study the deterministic time-dependent behavior of magnetic systems containing over 10^5 spins with quite good accuracy. This approach will be introduced, including the theoretical foundations of…

Statistical Mechanics · Physics 2009-10-31 D. P. Landau , Alex Bunker , Hans Gerd Evertz , M. Krech , Shan-Ho Tsai

Spectroscopic measurements with low-temperature scanning tunneling microscopes have been used very successfully for studying not only individual atomic or molecular spins on surfaces but also complexly designed coupled systems. The symmetry…

Mesoscale and Nanoscale Physics · Physics 2017-03-28 Markus Ternes

A kinetic Ising model is analyzed where spin variables correspond to lattice cells with mobile or immobile particles. Introducing additional restrictions for the flip processes according to the n-spin facilitated kinetic Ising model and…

Disordered Systems and Neural Networks · Physics 2009-10-31 B. Zheng , M. Schulz , S. Trimper

We construct a novel scattering theory to investigate magnetoelectrically induced spin polarizations. Local spin polarizations generated by electric currents passing through a spin-orbit coupled mesoscopic system are measured by an external…

Mesoscale and Nanoscale Physics · Physics 2015-05-14 Ph. Jacquod

A spin dynamics approach has been used to study the behavior of the magnetic spins and the electric pseudo-spins in a 1-D composite multiferroic chain with a linear magneto-electric coupling at the interface. The response is investigated…

Mesoscale and Nanoscale Physics · Physics 2015-10-01 Zidong Wang , Malcolm J. Grimson
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