The Kawasaki identity (KI) and the Jarzynski equality (JE) are important nonequilibrium relations. Both of these relations take the form of an ensemble average of an exponential function and can exhibit convergence problems when the average of the exponent differs greatly from the log of the average of the exponential function. In this work, we re-express these relations so that only selected regions need to be evaluated in an attempt to avoid these convergence issues. In the context of measuring free energies, we compare our method to the JE and the literature standard approach, the maximum likelihood estimator (MLE), and show that in a system with asymmetric work distributions it can perform as well as the MLE. For the KI, we derive an an...
As shown by Jarzynski, free energy differences between equilibrium states can be expressed in terms ...
The probability densities of work that can be exerted on a quantum system initially staying in therm...
Recently developed nonequilibrium statistical physics relationships, including Jarzynski's equal...
The Jarzynski equality is one of the most widely celebrated and scrutinized nonequilibrium work theo...
The well-known Jarzynski equality, often written in the form e − β Δ F = 〈 e − β W 〉 ...
We consider two different methods of calculating the relevant average for the non-equilibrium partit...
Equilibrium free-energy differences can be computed from nonequilibrium molecular dynamics (MD) simu...
The transition between a regime in which thermodynamic relations apply only to ensembles of small sy...
In the past decade there has been considerable interest in nonequilibrium free energy theorems. Thes...
Abstract: A promising method for calculating free energy differences F is to generate nonequilibrium...
The possibility of estimating equilibrium free-energy profiles from multiple non-equilibrium simulat...
ABSTRACT: Equilibrium free-energy differences can be computed from non-equilibrium molecular dynamic...
A promising method for calculating free energy differences Delta F is to generate non-equilibrium da...
In this paper, we study Jarzynski's equality and fluctuation theorems for diffusion processes. While...
PACS. 02.50.-r – Probability theory, stochastic processes, and statistics. PACS. 05.70.Ln – Nonequil...
As shown by Jarzynski, free energy differences between equilibrium states can be expressed in terms ...
The probability densities of work that can be exerted on a quantum system initially staying in therm...
Recently developed nonequilibrium statistical physics relationships, including Jarzynski's equal...
The Jarzynski equality is one of the most widely celebrated and scrutinized nonequilibrium work theo...
The well-known Jarzynski equality, often written in the form e − β Δ F = 〈 e − β W 〉 ...
We consider two different methods of calculating the relevant average for the non-equilibrium partit...
Equilibrium free-energy differences can be computed from nonequilibrium molecular dynamics (MD) simu...
The transition between a regime in which thermodynamic relations apply only to ensembles of small sy...
In the past decade there has been considerable interest in nonequilibrium free energy theorems. Thes...
Abstract: A promising method for calculating free energy differences F is to generate nonequilibrium...
The possibility of estimating equilibrium free-energy profiles from multiple non-equilibrium simulat...
ABSTRACT: Equilibrium free-energy differences can be computed from non-equilibrium molecular dynamic...
A promising method for calculating free energy differences Delta F is to generate non-equilibrium da...
In this paper, we study Jarzynski's equality and fluctuation theorems for diffusion processes. While...
PACS. 02.50.-r – Probability theory, stochastic processes, and statistics. PACS. 05.70.Ln – Nonequil...
As shown by Jarzynski, free energy differences between equilibrium states can be expressed in terms ...
The probability densities of work that can be exerted on a quantum system initially staying in therm...
Recently developed nonequilibrium statistical physics relationships, including Jarzynski's equal...