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physics.comp-ph2019
Construction of a pathway map on a complicated energy landscape
Jianyuan Yin, Yiwei Wang, Jeff Z. Y. Chen +2
How do we search for the entire family tree without unwanted random guesses, starting from a high-index and high-energy stationary state on the energy landscape? Here we introduce…
physics.comp-ph2012
Optimizing working parameters of the twin-range cutoff method in terms of accuracy and efficiency
Han Wang, Pingwen Zhang
We construct a priori error estimation for the force error of the twin-range cutoff method, which is widely used to treat the short-range non-bonded interactions in molecular simul…