FK-eABF replaces histogram accumulation in eABF with Gaussian force kernels and Nadaraya-Watson regression to achieve faster free-energy landscape coverage while retaining quantitative accuracy across simulation timescales.
Title resolution pending
1 Pith paper cite this work. Polarity classification is still indexing.
1
Pith paper citing it
fields
physics.chem-ph 1years
2026 1verdicts
UNVERDICTED 1representative citing papers
citing papers explorer
-
A Force-Kernel Reformulation of the Extended-System Adaptive Biasing Force for Free-Energy Calculations
FK-eABF replaces histogram accumulation in eABF with Gaussian force kernels and Nadaraya-Watson regression to achieve faster free-energy landscape coverage while retaining quantitative accuracy across simulation timescales.