57 citations · 164 across the 6 of their papers we have counts for
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physics.comp-ph2020★ 57 cited
A Perspective on Deep Learning for Molecular Modeling and Simulations
Jun Zhang, Yao-Kun Lei, Zhen Zhang +6
Deep learning is transforming many areas in science, and it has great potential in modeling molecular systems. However, unlike the mature deployment of deep learning in computer vi…
physics.comp-ph2013★ 14 cited
Facile implementation of integrated tempering sampling method to enhance the sampling over a broad range of temperatures
Peng Zhao, Li Jiang Yang, Yi Qin Gao +1
Integrated tempering sampling (ITS) method is an approach to enhance the sampling over a broad range of energies and temperatures in computer simulations. In this paper, a new vers…