Reconstructing the equilibrium Boltzmann distribution from well‐tempered metadynamics
By Massimiliano Bonomi, Alessandro Barducci, Michele Parrinello. Journal of Computational Chemistry, 2009
336 citations recorded by the source corpus.
Subfields: Condensed Matter Physics, Molecular Biology, Statistical and Nonlinear Physics
View Paper: https://www.semanticscholar.org/paper/5e698dfb15f44daa1511fb41843df58d2cd370d2
How researchers see this paper
The researchers whose trusted networks rank it highest, strongest advocate first. Every researcher gets a different order.
In Condensed Matter Physics
- Cameron F. Abrams
- Tony Lelièvre
- J'erome H'enin
- Giovanni Bussi
- Omar Valsson
- Michael R. Shirts
- Lucie Delemotte
- Michael Feig
In Molecular Biology
- J'erome H'enin
- Tony Lelièvre
- Omar Valsson
- Lucie Delemotte
- Cameron F. Abrams
- Michael R. Shirts
- Giovanni Bussi
- Justin A. Lemkul
In Statistical and Nonlinear Physics
- Cameron F. Abrams
- Tony Lelièvre
- Michael R. Shirts
- Giovanni Bussi
- J'erome H'enin
- Lucie Delemotte
- Omar Valsson
- Justin A. Lemkul
Citations in the corpus
- Enhanced Sampling in Molecular Dynamics Using Metadynamics, Replica-Exchange, and Temperature-Acceleration (2013, background): “Importantly, it is possible to recover equilibrium Boltzmann statistics of unbiased collective variables from samples drawn throughout a well-tempered metadynamics trajectory [150]; it does not seem clear that one can do this from an ABF trajectory.”
- Enhanced Sampling Methods for Molecular Dynamics Simulations [Article v1.0] (2022, background): “The most common way to achieve this task is the so-called c(t) reweighting procedure [135, 136] that takes the time-dependence of the bias potential into account.”