Have you tried FDES in your own work? What challenges did you face with the NNF tuning? Let’s discuss below.
Demystifying FDES & NNF: A Smarter Way to Explore Molecular Energy Landscapes fdes nnf
Two advanced acronyms gaining traction are (Frequency Domain Enhanced Sampling) and its core component, the NNF (Nonlinear Normalization Function). Here’s a breakdown of what they are and why they matter. What is FDES? FDES is a biasing method used to accelerate the exploration of a system’s potential energy surface. Unlike traditional methods (e.g., metadynamics or umbrella sampling) that add repulsive potentials in real space or along collective variables, FDES works in the frequency domain . Have you tried FDES in your own work