Liang Wu

A New Parameterization of an All-Atom Force Field for Cellulose

Huai Sun, Lingci Zhao, Evangelia Charvati, 2021, JOM.

Efficient Chemical Space Exploration Using Active Learning Based on Marginalized Graph Kernel: an Application for Predicting the Thermodynamic Properties of Alkanes with Molecular Simulation

Yunhao Tang, Zheng Gong, Huai Sun, 2022, ArXiv.

Coarse-Grained Force Fields Built on Atomistic Force Fields

Huai Sun, Fenglei Cao, Hao Huang, 2021 .

Phase Behavior and Liquid Crystalline Ordering of [2]Catenated Molecular Systems

Xuzhou Yan, Xinyuan Zhu, Huai Sun, 2023, Macromolecules.