https://www.selleckchem.com/pr....oducts/brequinar.htm
Even though the computation of local properties, such as densities or radial distribution functions, remains one of the most standard goals of molecular simulation, it still largely relies on straightforward histogram-based strategies. Here, we highlight recent developments of alternative approaches leading, from different perspectives, to estimators with a reduced variance compared to conventional binning. They all make use of the force acting on the particles, in addition to their position, and allow us to focus on the non-trivial p
Beğen
Yorum Yap
Paylaş
