In a study published in PNAS, a research team developed a new reinforcement learning-based enhanced sampling method called Adaptive Collective Variables Generator (Adaptive CVgen), which has been ...
In a study published in PNAS, a research team led by SHI Xinghua from the National Center for Nanoscience and Technology (NCNST) of the Chinese Academy of Sciences, in collaboration with GAO Huajian's ...
The calculation of steady-states of systems which are both non-reversible and metastable presents a major computational challenge. Here we present work on a class of methods that seek to overcome this ...
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