๐”– Bobbio Scriptorium
โœฆ   LIBER   โœฆ

Bias and error in estimates of equilibrium free-energy differences from nonequilibrium measurements

โœ Scribed by Gore, J.; Ritort, F.; Bustamante, C.


Book ID
127252506
Publisher
National Academy of Sciences
Year
2003
Tongue
English
Weight
525 KB
Volume
100
Category
Article
ISSN
0027-8424

No coin nor oath required. For personal study only.


๐Ÿ“œ SIMILAR VOLUMES


Efficient use of nonequilibrium measurem
โœ F. Marty Ytreberg; Daniel M. Zuckerman ๐Ÿ“‚ Article ๐Ÿ“… 2004 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 802 KB

## Abstract A promising method for calculating free energy differences __ฮ”F__ is to generate nonequilibrium data via โ€œfastโ€growthโ€ simulations or by experimentsโ€”and then use Jarzynski's equality. However, a difficulty with using Jarzynski's equality is that __ฮ”F__ estimates converge very slowly and

On the Relative Merits of Equilibrium an
โœ Prof. Xavier Daura; Dr. Roman Affentranger; Prof. Alan E. Mark ๐Ÿ“‚ Article ๐Ÿ“… 2010 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 456 KB ๐Ÿ‘ 1 views

## Abstract The possibility of estimating equilibrium freeโ€energy profiles from multiple nonโ€equilibrium simulations using the fluctuationโ€“dissipation theory or the relation proposed by Jarzynski has attracted much attention. Although the Jarzynski estimator has poor convergence properties for simu