String Method: Difference between revisions
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==Introduction== | ==Introduction== | ||
The string method is an enhanced sampling technique to identify the most probable transition pathway (minimum free energy path) between two or more metastable states in high-dimensional collective variable space. The method discretises the path into a series of connected points (beads) and iteratively refines their positions using biased molecular dynamics to align the path with the underlying free energy landscape. | |||
Latest revision as of 08:54, 28 May 2025
Navigation: Documentation / Methods / String Method
Contents
- STM:Description
- STM:Controls
- STM:Collective variables
- STM:Post-processing
- STM:Utilities
- STM:Examples
Introduction
The string method is an enhanced sampling technique to identify the most probable transition pathway (minimum free energy path) between two or more metastable states in high-dimensional collective variable space. The method discretises the path into a series of connected points (beads) and iteratively refines their positions using biased molecular dynamics to align the path with the underlying free energy landscape.