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Systematic inaccuracy is inherent in any computational estimate of a non-linear average, due to the availability of only a finite number of data values, N. Free energy differences (DF) between two states or systems are critically important…

计算物理 · 物理学 2009-11-07 Daniel M. Zuckerman , Thomas B. Woolf

In this paper, we review the physical concepts of the nonequilibrium techniques for the calculation of free energies applied to magnetic systems using Monte Carlo simulations of different nonequilibrium processes. The methodology allows the…

统计力学 · 物理学 2019-05-01 Samuel Cajahuaringa , Alex Antonelli

We present a unifying approach to studying the replica symmetric solution in general diluted spin glass models on random $p$-uniform hypergraphs with sparsity parameter $\alpha$. Our result shows that there exist two key regimes in which…

概率论 · 数学 2024-10-22 Ratul Biswas , Wei-Kuo Chen , Arnab Sen

Random Matrix Theory (RMT) is a powerful statistical tool to model spectral fluctuations. This approach has also found fruitful application in Quantum Chromodynamics (QCD). Importantly, RMT provides very efficient means to separate…

高能物理 - 格点 · 物理学 2016-08-25 T. Guhr , J. -Z. Ma , S. Meyer , T. Wilke

For a 2-dimensional freely jointed chain with 3 particles and a related model, the average and variance of the kinetic energies of each particle in thermal equilibrium are exactly obtained. The same is done for a related model. The excess…

统计力学 · 物理学 2021-10-01 Tetsuro Konishi , Tatsuo Yanagita

We extract values for the free symmetry energy as a function of the fragment size (the proton number Z) from antisymmetrized molecular dynamics (AMD) calculations of calcium collisions. Simple statistical physics describe well the…

核理论 · 物理学 2009-11-10 Akira Ono , P. Danielewicz , W. A. Friedman , W. G. Lynch , M. B. Tsang

The free energy functional has recently been proposed as a variational principle for bounded rational decision-making, since it instantiates a natural trade-off between utility gains and information processing costs that can be…

机器学习 · 统计学 2012-05-18 Pedro A. Ortega , Daniel A. Braun

Calculating free energy differences is a topic of substantial interest and has many applications including molecular docking and hydration, solvation, and binding free energies which is used in computational drug discovery. However, in…

化学物理 · 物理学 2013-10-16 Asaf Farhi

The microscopic approach to calculating the free energy of a three-dimensional Ising-like system in a homogeneous external field is developed in the higher non-Gaussian approximation (the $\rho^6$ model) at temperatures above the critical…

统计力学 · 物理学 2008-12-11 I. V. Pylyuk , M. P. Kozlovskii

The bootstrap method has proven useful for a wide range of matrix models. Here, we show that the computed momenta can be used to reconstruct the underlying eigenvalue probability distribution, which in turn allows us to compute the free…

高能物理 - 理论 · 物理学 2025-09-29 Samuel Kováčik , Katarína Magdolenová

Free energy perturbation (FEP) is frequently used to evaluate the free energy change of a biological process, e.g. the drug binding free energy or the ligand solvation free energy. Due to the sampling inefficiency, FEP is often employed…

化学物理 · 物理学 2017-01-31 Ying-Chih Chiang , Frank Otto

Methods for studying droplets in models with quenched disorder are critically examined. Low energy excitations in two dimensional models are investigated by finding minimal energy interior excitations and by computing the effect of bulk…

无序系统与神经网络 · 物理学 2009-10-31 A. Alan Middleton

We derive the optimal estimates of the free energies of an arbitrary number of thermodynamic states from nonequilibrium work measurements; the work data are collected from forward and reverse switching processes and obey a fluctuation…

统计力学 · 物理学 2009-11-11 Paul Maragakis , Martin Spichty , Martin Karplus

We study the power spectrum of eigen-angles of random matrices drawn from the circular unitary ensemble ${\rm CUE}(N)$ and show that it can be evaluated in terms of either a Fredholm determinant, or a Toeplitz determinant, or a sixth…

数学物理 · 物理学 2022-12-19 Roman Riser , Eugene Kanzieper

We propose a new mechanism for generating power laws. Starting from a random walk, we first outline a simple derivation of the Fokker-Planck equation. By analogy, starting from a certain Markov chain, we derive a master equation for power…

统计力学 · 物理学 2022-12-09 Sabin Roman , Francesco Bertolotti

We revisit the enumeration problems of random discrete surfaces (RDS) based on solutions of the discrete equations derived from the matrix models. For RDS made of squares, the recursive coefficients of orthogonal polynomials associated with…

高能物理 - 理论 · 物理学 2017-12-27 Chuan-Tsung Chan , Hsiao-Fan Liu

Active nematics are influenced by alignment angle singularities called topological defects. The localization of these defects is of major interest for biological applications. The total distortion of alignment angles due to defects is…

流体动力学 · 物理学 2024-05-28 Hiroyuki Miyoshi , Hiroki Miyazako , Takaaki Nara

We discuss the recent application to strongly disordered systems of the Critical Minimum Energy Subspace (CMES) method, used to limit the energy subspace of the Wang-Landau sampling. We compare with our results on the 3D Random Field Ising…

统计力学 · 物理学 2009-06-04 Laura Hernandez , Horacio Ceva

We consider multicolor urn models with multiple drawings. An urn model is called linear if the conditional expected value of the urn composition at time $n$ is a linear function of the composition at time $n-1$. For four different sampling…

概率论 · 数学 2016-12-14 Markus Kuba

We consider the free energy of a class of spin glass models with $ p$-spin interactions in a transverse magnetic field. As $ p \to \infty $, the infinite system-size free energy is proven to converge to that of the quantum random energy…

数学物理 · 物理学 2026-03-10 Anouar Kouraich , Chokri Manai , Simone Warzel