相关论文: Free Energy Evaluation in Polymer Translocation vi…

We prove that under n^{1/3} scaling, the limiting distribution as n goes to infinity of the free energy of Seppalainen's log-Gamma discrete directed polymer is GUE Tracy-Widom. The main technical innovation we provide is a general identity…

The dynamics of flexible polymer molecules are often assumed to be governed by hydrodynamics of the solvent. However there is considerable evidence that internal dissipation of a polymer contributes as well. Here we investigate the dynamics…

We study the elastic (1+1)-dimensional string subject to a random gaussian potential on scales smaller than the correlation radius of the disorder potential (Larkin problem). We present an exact calculation of the probability function…

We study the following question: given a massive Markov random field on $n$ nodes, can a small sample from it provide a rough approximation to the free energy $\mathcal{F}_n = \log{Z_n}$? Results in graph limit literature by Borgs, Chayes,…

The relaxation dynamics of a polymer wound around a fixed obstacle constitutes a fundamental instance of polymer with twist and torque and it is of relevance also for DNA denaturation dynamics. We investigate it by simulations and Langevin…

Jarzynski Equality (JE) and the thermodynamic integration method are conventional methods to calculate free energy difference (FED) between two equilibrium states with constant temperature of a system. However, a number of ensemble samples…

We develop a Mellin transform framework which allows us to simultaneously analyze the four known exactly solvable 1+1 dimensional lattice polymer models: the log-gamma, strict-weak, beta, and inverse-beta models. Using this framework we…

We report a numerical study of self-avoiding polymers on the square lattice, including an attractive potential between nonconsecutive monomers. Using Wang-Landau sampling (WLS) with adaptive windows, we obtain the density of states for…

In this work the free energy of solid phases is computed for the Lennard-Jones potential and for a model of NaCl. The free energy is evaluated through the Einstein crystal/molecule methodologies using the Molecular Dynamics programs:…

The energy levels of neutral atoms supported by Yukawa potential, $V(r)=-Z exp(-\alpha r)/r$, are studied, using both dimensional and dimensionless quantities, via a new analytical methodical proposal (devised to solve for nonexactly…

Predicting the molecular friction and energy landscapes under nonequilibrium conditions is key to coarse-graining the dynamics of selective solute transport through complex, fluctuating and responsive media, e.g., polymeric materials such…

We compute the high-dimensional limit of the free energy associated with a multi-layer generalized linear model. Under certain technical assumptions, we identify the limit in terms of a variational formula. The approach is to first show…

We present the diagrammatic technique for calculating the free energy of the matrix eigenvalue model (the model with arbitrary power beta by the Vandermonde) to all orders of 1/N expansion in the case where the limiting eigenvalue…

We present recent results on coarse-graining techniques for thermodynamic quantities (canonical averages) and dynamical quantities (averages of path functionals over solutions of overdamped Langevin equations). The question is how to obtain…

Eulerian electrostatic kinetic simulations of unmagnetized plasmas (kinetic electrons and motionless protons) with high-frequency equilibrium perturbations have been employed to investigate the phase space free energy transfer across…

Using computer simulations, we validate a simple free energy model that can be analytically solved to predict the equilibrium size of self-limiting clusters of particles in the fluid state governed by a combination of short-range attractive…

Polymer transport is investigated for two paradigmatic laminar flows having open and closed streamlines, respectively. For both types of flows we find transport depletion owing to the action of the polymers elastic degree of freedom. For…

We illustrate the Jarzynski equality on the exactly solvable model of a one-dimensional ideal gas in uniform expansion or compression. The analytical results for the probability density $P(W)$ of the work $W$ performed by the gas are…

We determine the energy-level shift experienced by a neutral atom due the quantum electromagnetic interaction with a layered dielectric body. We use the technique of normal-mode expansion to quantize the electromagnetic field in the…

Inspired by the recent development on calculating the free energy change via a relaxation process [Nat. Phys. 14, 842 (2018)], we investigate the role of heat released in an irreversible relaxation following a large perturbation. Utilizing…