# Contour forward flux sampling: Sampling rare events along multiple collective variables

## TL;DR

The paper introduces contour forward flux sampling (cFFS), a novel method for efficiently sampling rare events involving multiple collective variables without prior knowledge of the energy landscape.

## Contribution

cFFS is a new adaptive sampling technique that dynamically places nonlinear interfaces to study rare events with multiple CVs simultaneously.

## Key findings

- Successfully applied to analytical potential energy surfaces
- Effectively captured conformational change in alanine dipeptide
- Demonstrated ability to handle multiple CVs without prior landscape knowledge

## Abstract

Many rare event transitions involve multiple collective variables (CVs) and the most appropriate combination of CVs is generally unknown a priori. We thus introduce a new method, contour forward flux sampling (cFFS), to study rare events with multiple CVs simultaneously. cFFS places nonlinear interfaces on-the-fly from the collective progress of the simulations, without any prior knowledge of the energy landscape or appropriate combination of CVs. We demonstrate cFFS on analytical potential energy surfaces and a conformational change in alanine dipeptide.