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Constraining molecules in simulations (such as with constant bond lengths and/or angles) reduces their degrees of freedom (DoF), which in turn affects temperature calculations in those simulations. When local temperatures are measured, e.g.…

Statistical Mechanics · Physics 2026-03-24 Stephen Sanderson , Shern R. Tee , Debra J. Searles

We propose an efficient stochastic method to implement numerically the Bogolubov approach to study finite-temperature Bose-Einstein condensates. Our method is based on the Wigner representation of the density matrix describing the non…

Statistical Mechanics · Physics 2015-06-24 Alice Sinatra , Yvan Castin , Carlos Lobo

We study the finite-temperature expectation values of exponential fields in the sine-Gordon model. Using finite-volume regularization, we give a low-temperature expansion of such quantities in terms of the connected diagonal matrix…

Strongly Correlated Electrons · Physics 2015-06-18 Francesco Buccheri , Gabor Takacs

We investigate the finite temperature expectation values of the charge and current densities for a complex scalar field with nonzero chemical potential in background of a flat spacetime with spatial topology $R^{p}\times (S^{1})^{q}$. Along…

High Energy Physics - Theory · Physics 2013-03-26 E. R. Bezerra de Mello , A. A. Saharian

We discuss the application of techniques of quantum estimation theory and quantum metrology to thermometry. The ultimate limit to the precision at which the temperature of a system at thermal equilibrium can be determined is related to the…

Quantum Physics · Physics 2019-05-01 Antonella De Pasquale , Thomas M. Stace

The dynamics of spin-boson systems at very low temperatures has been studied using a real-time path-integral simulation technique which combines a stochastic Monte Carlo sampling over the quantum fluctuations with an exact treatment of the…

chem-ph · Physics 2009-10-22 Reinhold Egger , C. H. Mak

We describe an approach for many-body calculations with a finite-temperature, grand canonical ensemble formalism using auxiliary-field quantum Monte Carlo (AFQMC) with a self-consistent constraint to control the sign problem. The usual…

Strongly Correlated Electrons · Physics 2019-06-18 Yuan-Yao He , Mingpu Qin , Hao Shi , Zhong-Yi Lu , Shiwei Zhang

We present a numerical method to evaluate partition functions and associated correlation functions of inhomogeneous 2--D classical spin systems and 1--D quantum spin systems. The method is scalable and has a controlled error. We illustrate…

Other Condensed Matter · Physics 2009-11-11 V. Murg , F. Verstraete , J. I. Cirac

We present a novel quantum Monte Carlo method based on a path integral in Fock space, which allows to compute finite-temperature properties of a many-body nuclear system with a monopole pairing interaction in the canonical ensemble. It…

Nuclear Theory · Physics 2009-01-23 N. J. Cerf

The Quantum Monte Carlo method for spin 1/2 fermions at finite temperature is formulated for dilute systems with an s-wave interaction. The motivation and the formalism are discussed along with descriptions of the algorithm and various…

Statistical Mechanics · Physics 2009-02-05 Aurel Bulgac , Joaquin E. Drut , Piotr Magierski

Simulating properties of quantum materials is one of the most promising applications of quantum computation, both near- and long-term. While real-time dynamics can be straightforwardly implemented, the finite temperature ensemble involves…

Quantum Physics · Physics 2023-11-06 Khaldoon Ghanem , Alexander Schuckert , Henrik Dreyer

We develop an analytical technique to derive explicit forms of thermodynamical quantities within the asymptotic approach to non-extensive quantum distribution functions. Using it, we find an expression for the number of particles in a boson…

Statistical Mechanics · Physics 2009-10-31 Ugur Tirnakli , Diego F. Torres

Computer simulations of structure formation in network forming materials (such as amorphous semiconductors, glasses, or fluids containing hydrogen bonds) are challenging. The problem is that large structural changes in the network topology…

Statistical Mechanics · Physics 2015-06-18 Richard Vink

We develop a Monte Carlo wave function algorithm for the quantum linear Boltzmann equation, a Markovian master equation describing the quantum motion of a test particle interacting with the particles of an environmental background gas. The…

Quantum Physics · Physics 2010-09-28 Marc Busse , Piotr Pietrulewicz , Heinz-Peter Breuer , Klaus Hornberger

We investigate a convective Brinkman--Forchheimer problem coupled with a heat equation. The investigated model considers thermal diffusion and viscosity depending on the temperature. We prove the existence of a solution without restriction…

Numerical Analysis · Mathematics 2024-11-21 Gilberto Campaña , Pablo Muñoz , Enrique Otarola

Variational methods are used to calculate structural and thermodynamical properties of a titrating polyelectrolyte in a discrete representation. The Coulomb interactions are emulated by harmonic repulsive forces, the force constants being…

chem-ph · Physics 2008-02-03 B. Jönsson , M. Ullner , C. Peterson , O. Sommelius , B. Söderberg

We present a quantum Monte Carlo (QMC) technique for calculating the exact finite-temperature properties of Bose-Fermi mixtures. The Bose-Fermi Auxiliary-Field Quantum Monte Carlo (BF-AFQMC) algorithm combines two methods, a…

Quantum Gases · Physics 2012-12-04 Brenda M. Rubenstein , Shiwei Zhang , David R. Reichman

An efficient method for computing thermodynamic equilibrium states at the micromagnetic length scale is introduced, using the Markov chain Monte Carlo method. Trial moves include not only rotations of vectors, but also a change in their…

Mesoscale and Nanoscale Physics · Physics 2021-11-10 Serban Lepadatu

A simple pedagogical introduction to the effective action method of quantum field theory is given at a level suitable for beginning postgraduate students. It is shown how to obtain the effective potential at zero temperature from a…

Statistical Mechanics · Physics 2008-02-03 David J. Toms

Recently the general form of a translation-covariant quantum Boltzmann equation has been derived which describes the dynamics of a tracer particle in a quantum gas. We develop a stochastic wave function algorithm that enables full…

Quantum Physics · Physics 2007-09-24 Heinz-Peter Breuer , Bassano Vacchini