Related papers: Relaxation Augmented Free Energy Perturbation
The free energy of a nonabelian gauge theory at high temperature $T$ can be calculated to order $g^5$ using resummed perturbation theory, but the method breaks down at order $g^6$. A new method is developed for calculating the free energy…
Thermodynamic random processes in thermal systems are generally associated with one or several relaxation times, the inverse of which are formally homogeneous with energy. Here, we show in a precise way that the periodic modification of…
Starting from a microscopic theory, we derive a master equation for a harmonic oscillator coupled to a bath of non-interacting oscillators. We follow a non-perturbative approach, proposed earlier by us for the free Brownian particle. The…
We present a unique derivation of metadynamics. The starting point for the derivation is an on-the-fly reweighting scheme but through an approximation we recover the standard metadynamics and the well-tempered metadynamics in a general form…
Superconductors like other solids cannot relax instantaneously from excited states to thermodynamic equilibrium. In this paper, relaxation from thermal excitations is investigated, like after absorption of radiation or, under conductor…
Supercooled liquids are characterized by relaxation times that increase dramatically by cooling or compression. Many liquids have been shown to obey power-law density scaling, according to which the relaxation time is a function of density…
Thermodynamics of the XXX Heisenberg model is studied. The trace of the Boltzmann weight with respect to the Hilbert space is taken in the thermodynamic limit with the number of up-spins being fixed. The expression of the trace gives an…
Free energy sampling methods allow studying the full dynamics of activated processes. Unfortunately, the affordable accuracy of the potential describing the energy and forces of the system is usually rather low. Here we introduce a new…
The present paper proposes an adaptive biasing potential for the computation of free energy landscapes. It is motivated by statistical learning arguments and unifies the tasks of biasing the molecular dynamics to escape free energy wells…
We consider a possible `deformation' of the trace of the heat kernel on odd dimensional spheres, motivated by the calculation of the free energy of a scalar field on a discretized circle. By using an expansion in terms of the modified…
Understanding how different classes of molecules move across biological membranes is a prerequisite to predicting a solute's permeation rate, which is a critical factor in the fields of drug design and pharmacology. We use biased Molecular…
Optical tweezers setup is often used to probe the motion of individual tracer particle, which promotes the study of relaxation dynamics of a generic process confined in a harmonic potential. We uncover the dependence of ensemble- and…
Net-Charge fluctuations in a hadron gas are studied using an effective hadronic interaction. The emphasis of this work is to investigate the corrections of hadronic interactions to the charge fluctuations of a non-interacting resonance gas.…
Nonpremixed turbulent reacting flows are intrinsically difficult to model due to the strong coupling between turbulent motions and reaction. The large amount of heat released by a typical hydrocarbon flame leads to significant modifications…
For slowly rotating fluids, we establish the existence of a critical point similar to the one found for non-rotating systems. As the fluid approaches the critical point, the effective inertial mass of any fluid element decreases, vanishing…
Energy dynamics calculations in a 3D fluid simulation of drift wave turbulence in the linear Large Plasma Device (LAPD) [W. Gekelman et al., Rev. Sci. Inst. 62, 2875 (1991)] illuminate processes that drive and dissipate the turbulence.…
We analyze the conservation properties of various discretizations of the system of compressible Euler equations for shock-free flows, with special focus on the treatment of the energy equation and on the induced discrete equations for other…
We use molecular dynamics simulation results on viscous binary Lennard-Jones mixtures to examine the correlation between the potential energy and the virial. In accord with a recent proposal [U. R. Pedersen et. al. Phys. Rev. Lett. 100,…
A wide variety of nuclear magnetic resonance experiments rely on the prediction and analysis of relaxation processes. Recently, innovative approaches have been introduced where the sample travels through a broad range of magnetic fields in…
As Phil Anderson noted long ago, frustration can be generally defined by measuring the fluctuations in the coupling energy across a plane boundary between two large blocks of material. Since that time, a number of groups have studied the…