Related papers: Relaxation Augmented Free Energy Perturbation
Many enhanced sampling techniques rely on the identification of a number of collective variables that describe all the slow modes of the system. By constructing a bias potential in this reduced space one is then able to sample efficiently…
The stochastic thermodynamics of systems with a few degrees of freedom has been studied extensively so far. We would like to extend the study to systems with more degrees of freedom and even further-continuous fields with infinite degrees…
At a composition far above the percolation threshold, the resistance of a composite sample increases with time due to Joule heating as a constant current of sufficiently large value is passed through the sample. If the current is less than…
In this paper, a variational perturbation scheme for nonrelativistic many-Fermion systems is generalized to a Bosonic system. By calculating the free energy of an anharmonic oscillator model, we investigated this variational expansion…
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…
We elucidate the interplay between Newtonian thermal relaxation and numerical dissipation, of several different origins, in flow simulations of hot extrasolar planet atmospheres. Currently, a large range of Newtonian relaxation, or…
We perform a numerical simulation of energy relaxation in three-dimensional electron glasses in the strongly localized regime at finite temperatures. We consider systems with no interactions, with long-range Coulomb interactions and with…
One may impose to a system with spontaneous broken symmetry, boundary conditions which correspond to different pure states at two ends of a sample. For a discrete Ising-like broken symmetry, boundary conditions with opposite spins in two…
This dissertation develops, for several families of statistical mechanical and random growth models, techniques for analyzing infinite-volume asymptotics. In the statistical mechanical setting, we focus on the low-temperature phases of spin…
It is proposed that the Schrodinger equation for a free point particle has non-linear corrections which depend on the mass of the particle. It is assumed that the corrections become extremely small when the mass is much smaller or much…
We solve the problem addressed by Landau and Lifshitz in 1958, and Oughstun and Sherman of determining the dynamical losses in a purely dissipative dielectric media. We develop concrete notions of macroscopic free energy and losses as…
A computational approach to describe the energy relaxation of a high-frequency vibrational mode in a fluctuating heterogeneous environment is outlined. Extending previous work [H. Fujisaki, Y. Zhang, and J.E. Straub, J. Chem. Phys. {\bf…
The paper is devoted to the relaxation and integral representation in the space of functions of bounded variation for an integral energy arising from optimal design problems. The presence of a perimeter penalization is also considered in…
Numerical hydrodynamics simulations of gases dominated by ideal, nondegenerate matter pressure and thermal radiation pressure in equilibrium entail finding the temperature as part of the evolution. Since the temperature is not typically a…
In this paper, we study the free energy of the directed polymer on a cylinder of radius $L$ with the inverse temperature $\beta$. Assuming the random environment is given by a Gaussian process that is white in time and smooth in space, with…
Estimating the free energy in molecular simulation requires, implicitly or explicitly, counting how many times the system is observed in a finite region. If the simulation is biased by an external potential, the weight of the configurations…
A major mystery of glass-forming liquids is the non-Arrhenius temperature-dependence of the average relaxation time. This paper briefly reviews the classical phenomenological models for this phenomenon - the free-volume model and the…
We develop a perturbation theory of quantum (and classical) master equations with slowly varying parameters, applicable to systems which are externally controlled on a time scale much longer than their characteristic relaxation time. We…
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…
The high-energy tail of the distribution of solute-solvent interaction energies is poorly characterized for condensed systems, but this tail region is of principal interest in determining the excess free energy of the solute. We introduce…