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We propose a Monte Carlo method which performs a random walk in energy space using cluster-like collective updates. By imposing that bond probabilities depend continuously on the microcanonical temperature, we obtain dynamic exponents close…

Statistical Mechanics · Physics 2007-05-23 Sylvain Reynal , Hung-The Diep

Finite-temperature magnetism gives rise to many phenomena in alloy materials, such as magnetic phase transformations, short or medium range order in magnetic alloys, spin waves, critical phenomena, and the magnetocaloric effect. Lattice…

Materials Science · Physics 2025-06-24 Brian Blankenau , Tianyu Su , Namhoon Kim , Elif Ertekin

We review a selection of methods for performing enhanced sampling in molecular dynamics simulations. We consider methods based on collective variable biasing and on tempering, and offer both historical and contemporary perspectives. In…

Statistical Mechanics · Physics 2014-01-03 Cameron Abrams , Giovanni Bussi

In this work we present a new and efficient Bayesian method for nonlinear three dimensional large scale structure inference. We employ a Hamiltonian Monte Carlo (HMC) sampler to obtain samples from a multivariate highly non-Gaussian…

Cosmology and Nongalactic Astrophysics · Physics 2015-05-14 J. Jasche , F. S. Kitaura

Rydberg atom arrays have emerged as a powerful platform to simulate a number of exotic quantum ground states and phase transitions. To verify these capabilities numerically, we develop a versatile quantum Monte Carlo sampling technique…

Strongly Correlated Electrons · Physics 2026-01-28 Pranay Patil

The performance of Hamiltonian Monte Carlo simulations crucially depends on both the integration timestep and the number of integration steps. We present an adaptive general-purpose framework to automatically tune such parameters, based on…

Computational Physics · Physics 2025-12-10 Henrik Christiansen , Federico Errica , Francesco Alesiani

Monte Carlo simulations are performed for the S = 1/2 XY and ferro- and antiferromagnetic Heisenberg model in two dimensions using the loop algorithm. Thermodynamic properties of all these models are investigated in wide temperature range.…

Statistical Mechanics · Physics 2013-02-07 A. K. Murtazaev , M. A. Magomedov

Magnetostriction and thermal expansion of the spin-ladder compound piperidinium copper bromide (C$_5$H$_{12}$N)$_2$CuBr$_4$ are analyzed in detail. We find perfect agreement between experiments and the theory of a two-leg spin ladder…

Strongly Correlated Electrons · Physics 2009-11-13 Fabrizio Anfuso , Markus Garst , Achim Rosch , Oliver Heyer , Thomas Lorenz , Christian Ruegg , Karl Kraemer

Using a dual representation of lattice fermion models that is based on spin-charge transformation and fermionisation of the original description, I derive an algorithm for diagrammatic Monte Carlo simulation of strongly correlated systems.…

Strongly Correlated Electrons · Physics 2018-02-21 Johan Carlström

Monte Carlo simulation based on Metropolis algorithm has been used with a great success to analyze the dynamic phase transition properties of a single spherical core-shell nanoparticle system with a spin-3/2 core surrounded by a spin-1…

Statistical Mechanics · Physics 2015-06-15 Erol Vatansever , Hamza Polat

We present different methods to increase the performance of Hybrid Monte Carlo simulations of the Hubbard model in two-dimensions. Our simulations concentrate on a hexagonal lattice, though can be easily generalized to other lattices. It is…

Strongly Correlated Electrons · Physics 2019-01-16 Stefan Krieg , Thomas Luu , Johann Ostmeyer , Philippos Papaphilippou , Carsten Urbach

We consider quantum-to-classical mapping for an arbitrary system of interacting spins at finite temperatures. We prove that, in the large-$S$ limit, the asymptotic form of the partition function coincides with that of a classical model for…

Statistical Mechanics · Physics 2026-02-19 A. El Mendili , M. E. Zhitomirsky

Analog quantum simulation based on ultracold atoms in optical lattices has catalyzed significant breakthroughs in the study of quantum many-body systems. These simulations rely on the statistical sampling of electronic Fock states, which…

Quantum Gases · Physics 2025-02-11 Shuhan Ding , Shaozhi Li , Yao Wang

We present a simple and fast method to simulate spin-torque driven magnetisation dynamics in nano-pillar spin-valve structures. The approach is based on the coupling between a spin transport code based on random matrix theory and a…

Mesoscale and Nanoscale Physics · Physics 2017-09-27 Simone Borlenghi , M. R. Mahani , Hans Fangohr , Matteo Franchin , Anna Delin , Jonas Fransson

Self-learning Monte Carlo method (SLMC), using a trained effective model to guide Monte Carlo sampling processes, is a powerful general-purpose numerical method recently introduced to speed up simulations in (quantum) many-body systems. In…

Strongly Correlated Electrons · Physics 2018-07-18 Chuang Chen , Xiao Yan Xu , Junwei Liu , George Batrouni , Richard Scalettar , Zi Yang Meng

Materials with spin-crossover (SCO) properties hold great potentials in information storage and therefore have received a lot of concerns in the recent decades. The hysteresis phenomena accompanying SCO is attributed to the intermolecular…

Chemical Physics · Physics 2022-10-11 Hong-zhou Ye , Chong Sun , Hong Jiang

The canonical one-band Hubbard model is studied using a computational method that mixes the Monte Carlo procedure with the mean field approximation. This technique allows us to incorporate thermal fluctuations and the development of…

Strongly Correlated Electrons · Physics 2014-11-25 Anamitra Mukherjee , Niravkumar D. Patel , Shuai Dong , Steve Johnston , Adriana Moreo , Elbio Dagotto

We introduce an algorithm to systematically improve the efficiency of parallel tempering Monte Carlo simulations by optimizing the simulated temperature set. Our approach is closely related to a recently introduced adaptive algorithm that…

Other Condensed Matter · Physics 2007-05-23 Helmut G. Katzgraber , Simon Trebst , David A. Huse , Matthias Troyer

(Anti)-/ferromagnetic Heisenberg spin models arise from discretization of Landau-Lifshitz models in micromagnetic modelling. In many applications it is essential to study the behavior of the system at a fixed temperature. A formulation for…

Numerical Analysis · Mathematics 2025-10-20 Teijo Arponen , Ben Leimkuhler

We propose a simple procedure by which the interaction parameters of the classical spin Hamiltonian can be determined from the knowledge of four-point correlation functions and specific heat. The proposal is demonstrated by using the…

Statistical Mechanics · Physics 2018-07-16 Vinit Kumar Singh , Jung Hoon Han