[ Selected Publications ]
1. A General Strategy to Synthesize Chemically and Topologically Anisotropic Janus Particles, Jun-Bing Fan, Yongyang Song, Hong Liu, Zhongyuan Lu, Feilong Zhang, Hongliang Liu, Jingxin Meng, Lin Gu, Shutao Wang*, Lei Jiang, Science Advances, 3, e1603203, 2017
2. Dominant Pathways of the Nano-particle Self-Assembly Process Elucidated by Kinetic Network Models, Xiangze Zeng, Bin Li, Qin Qiao, Lizhe Zhu, Zhong-yuan Lu*, and Xuhui Huang*, PCCP, 18, 23494 - 23499, 2016
3. Control globular structure formation of a regular copolymer chain through inverse design, Xi Yang, Zhong-Yuan Lu*, J. Chem. Phys., 144, 224902, 2016
4. Three dimensional inverse design of nanopatterns with block copolymers and homopolymers, Dan Xu, Hong Liu*, You-Liang Zhu, Zhong-Yuan Lu*, Nanoscale, 8, 5235-5244, 2016
5. Tuning surface wettability by designing hairy structures, Han-Wen Pei, Hong Liu*, Zhong-Yuan Lu*, You-Liang Zhu, Phys. Rev. E (communication), 91, 020401(R), 2015
6. Entropy-driven Pattern Formation of Hybrid Vesicular Assemblies Made from Molecular and Nanoparticle Amphiphiles, Yijing Liu, Yan-Chun Li, Jie He, Kaleb Duelge, Zhongyuan Lu*, Zhihong Nie*, J. Am. Chem. Soc., 136 (6), 2602–2610, 2014
7. Towards larger spatiotemporal scales in polymer simulations, Yan-Chun Li, Yong-Lei Wang, Zhan-Wei Li, Hong Liu, Zhong-Yuan Lu*, Chinese Science Bulletin, 58, 3595-3599, 2013
8. Self-assembly of amphiphilic plasmonic micelle-like nanoparticles in selective solvents, Jie He, Xinglu Huang, Yan-Chun Li, Yijing Liu, Tarrika Babu, Maria A. Aronova, Shouju Wang, Zhongyuan Lu,* Xiaoyuan Chen,* Zhihong Nie*, J. Am. Chem. Soc., 135 (21), 7974-7984, 2013
9. GALAMOST: GPU-accelerated large-scale molecular simulation toolkit, You-Liang Zhu, Hong Liu, Zhan-Wei Li, Hu-Jun Qian, Giuseppe Milano, Zhong-Yuan Lu*, J. Comput. Chem., 34, 2197-2211, 2013
10. A Supramolecular Janus Hyperbranched Polymer and Its Light- Reversible Self-Assembly of Narrowly-Distributed Vesicles, Yong Liu, Chunyang Yu, Haibao Jin, Binbin Jiang, Xinyuan Zhu, Yongfeng Zhou*, Zhongyuan Lu*, and Deyue Yan, J. Am. Chem. Soc., 135(12), 4765-4770, 2013