A temperature accelerated method for sampling free energy and determining reaction pathways in rare events simulations
By Luca Maragliano, Eric Vanden-Eijnden. 2006
478 citations recorded by the source corpus.
Subfields: Condensed Matter Physics, Mathematical Physics, Statistical and Nonlinear Physics
View Paper: https://www.semanticscholar.org/paper/294fcbaca552e7e8fcc66a43f4426fb3eadaf570
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 Mathematical Physics
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
- The future of molecular dynamics simulations in drug discovery (2011, background): “Several distinct, atomistic approaches aim to accelerate the still-insufficient sampling of protein conformational states, for example metadynamics [48], accelerated MD [49], and temperature accelerated MD [50].”
- Enhanced Sampling in Molecular Dynamics Using Metadynamics, Replica-Exchange, and Temperature-Acceleration (2013, methodology): “Force Algorithm [6], Temperature-Accelerated MD [7] and Metadynamics [8].”
- Enhanced Sampling Methods for Molecular Dynamics Simulations [Article v1.0] (2022, background): “In the “single sweep" method, TAMD is used to estimate local free energy gradients, followed by estimation of the free energy surface [344].”
- The heterogeneous multiscale method* (2012, unknown): “…especially handy in situations where the values taken by the fast variables are constrained by the slow variables, which arises in molecular dynamics simulations, for example (for applications in this context see, e.g., Maragliano and Vanden-Eijnden (2006, 2007), Abrams and Vanden-Eijnden (2010)).”