GPU-Accelerated Large-Scale Molecular Simulation Toolkit
Station: Introduction

朱有亮 副研究员

Dr. You-Liang Zhu, Associate Professor

中国科学院长春应用化学研究所,高分子物理与化学国家重点实验室,长春 130022,中国。

Chinese Academy of Sciences, Changchun Institute of Applied Chemistry, State Key Laboratory of Polymer Physics and Chemistry, Changchun 130022, China.

邮箱 (Email):

办公室电话 (Phone): +86 043185262512(office)

手机 (Mobile): +86 15948268485

传真 (Fax): +86 043185262969

教育经历 (Education Experience)

2003.09-2007.07 林大,材料化学,学士 (Jilin University, Materials Chemistry, Bachelor)

2008.09-2013.06 吉林大学,物理化学,博士 (Jilin University, Physical Chemistry, Doctor)

工作经历 (Work Experience)

2014.01-2016.01 长春应用化学研究所,博士后 (Changchun Institute of Applied Chemistry, Postdoctor)

2016.01-2016.12 长春应用化学研究所,助理研究员 (Changchun Institute of Applied Chemistry, Assistant Research Fellow)

2017.01-today       长春应用化学研究所,副研究员 (Changchun Institute of Applied Chemistry, Associate Research Fellow)

研究兴趣 (Research Interests)

1. 基于GPU的高性能运算的分子动力学模拟程序的设计和开发(Design and develop the high-performance molecular dynamics simulation software based on GPU computation)

2. 聚电解质材料功能与分子结构以及性质之间的关系研究(Study the relationship between the macroscopic properties and the microscopic structures of polyelectrolytes)

最近发表的文章 (Recent Papers)

[1] Y.-L. Zhu, Z.-Y. Lu, Z.-W. Li, Z.-Y. Sun, X. Liu,Effect of the Self-Assembled Structures of Hydrated Polyzwitterionic and Polyanionic Brushes on Their Self-Cleaning Capabilities, Langmuir, 35, 6669, 2019.

[2] F.-F. Hu, Y.-W. Sun, Y.-L. Zhu*, Y.-N. Huang, Z.-W. Li*, and Z.-Y. Sun, Enthalpy-driven self-assembly of amphiphilic Janus dendrimers into onion-like vesicles: a Janus particle model, Nanoscale, 11, 17350–17356, 2019

[3] 马兰, 容婧婧, 朱有亮*, 黄以能, 孙昭艳. 软胶体粒子形成束晶的动力学模拟[J]. 高等学校化学学报, 40(1): 195-200, 2019.

[4] 容婧婧, 马兰, 朱有亮*, 黄以能, 孙昭艳,表面图案诱导两嵌段共聚物形成穿孔层状结构的模拟, 高等学校化学学报, 39, 2805, 2018.

[5] Z.-W. Li, Y.-L. Zhu, Z.-Y. Lu, Z.-Y. Sun,General patchy ellipsoidal particle model for the aggregation behaviors of shape- and/or surface-anisotropic building blocks, Soft Matter, 14, 7625, 2018. (co-first author)

[6] Y.-L. Zhu, D. Pan, Z.-W. Li, H. Liu, H.-J. Qian, Y. Zhao, Z.-Y. Lu, Z.-Y. Sun, Employing multi-GPU power for molecular dynamics simulation: an extension of GALAMOST, Molecular Physics, 116, 1065, 2018.

[7] Y.-L. Wang, Y.-L. Zhu*, Z.-Y. Lu*, A. Laaksonen*, Electrostatic interactions in soft particle systems: mesoscale simulations of ionic liquids, Soft Matter, 2018.

[8] Y.-l. Zhu, Z.-w. Li, Z.-y. Sun, Z.-y. Lu, Computer Simulation Study on the Formation of Nanofibers by Hyper Branched Molecules, Acta Polymerica Sinica, 351, 2017.

[9] Y.-L. Zhu, Z.-Y. Lu, Z.-Y. Sun, The mechanism of the emergence of distinct overstretched DNA states, Journal of Chemical Physics, 144, 2016.

[10] Y.-L. Zhu, Z.-Y. Lu, G. Milano, A.-C. Shi, Z.-Y. Sun, Hybrid particle-field molecular dynamics simulation for polyelectrolyte systems, Physical Chemistry Chemical Physics, 18, 9799, 2016.

[11] H. Liu, Y.-L. Zhu, Z.-Y. Lu, F. Mueller-Plathe, A Kinetic Chain Growth Algorithm in Coarse-Grained Simulations, Journal of Computational Chemistry, 37, 2634, 2016. (co-first author

[12] W. Chen, Y. Zhu, F. Cui, L. Liu, Z. Sun, J. Chen, Y. Li, GPU-Accelerated Molecular Dynamics Simulation to Study Liquid Crystal Phase Transition Using Coarse-Grained Gay-Berne Anisotropic Potential, Plos One, 11, e0151704, 2016. (co-first author

[13] Y.-L. Zhu, H. Liu, Z.-W. Li, H.-J. Qian, G. Milano, Z.-Y. Lu, GALAMOST: GPU-accelerated large-scale molecular simulation toolkit, Journal of Computational Chemistry, 34, 2197, 2013.

[14] Y.-L. Zhu, H. Liu, Z.-Y. Lu,A highly coarse-grained model to simulate entangled polymer melts, Journal of Chemical Physics, 136, 2012.

[15] Y.-L. Zhu, Z.-Y. Lu,Phase diagram of spherical particles interacted with harmonic repulsions, Journal of Chemical Physics, 134, 2011.

[16] B. Shen, Y.-L. Zhu, Y. Kim, X. Zhou, H. Sun, Z. Lu, M. Lee,Autonomous helical propagation of active toroids with mechanical action, Nature Communications, 10, 1080, 2019.

[17] Y. Tian, J. Song, Y.-L. Zhu, H. Zhao, F. Muhammad, T. Ma, M. Chen, G. Zhu,Understanding the desulphurization process in an ionic porous aromatic framework, Chemical Science, 10, 606, 2019.

[18] M. Li, H. Ren, F. Sun, Y. Tian, Y.-L. Zhu, J. Li, X. Mu, J. Xu, F. Deng, G. Zhu,Construction of Porous Aromatic Frameworks with Exceptional Porosity via Building Unit Engineering, Advanced Materials, 30, 1804169, 2018.

[19] H. B. Kolli, A. de Nicola, S. L. Bore, K. Schäfer, G. Diezemann, J. Gauss, T. Kawakatsu, Z.-Y. Lu, Y.-L. Zhu, G. Milano, M. Cascella,Hybrid Particle-Field Molecular Dynamics Simulations of Charged Amphiphiles in an Aqueous Environment, Journal of Chemical Theory and Computation, 14, 4928, 2018.

[20] L. Jiang, Y. Tian, T. Sun, Y.-L. Zhu, H. Ren, X. Zou, Y. Ma, K. R. Meihaus, J. R. Long, G. Zhu,A Crystalline Polyimide Porous Organic Framework for Selective Adsorption of Acetylene over Ethylene, Journal of the American Chemical Society, 140, 15724, 2018.

[21] C. Duan, Z. Li, S. Pang, Y.-L. Zhu, B. Lin, F. J. M. Colberts, P. J. Leenaers, E. Wang, Z.-Y. Sun, W. Ma, S. C. J. Meskers, R. A. J. Janssen,Improving Performance of All-Polymer Solar Cells Through Backbone Engineering of Both Donors and Acceptors, Solar RRL, 2, 1800247, 2018.

[22] D. Xu, C.-Y. Ni, Y.-L. Zhu, Z.-Y. Lu, Y.-H. Xue, H. Liu, Kinetic step-growth polymerization: A dissipative particle dynamics simulation study, The Journal of chemical physics, 148, 024901, 2018.

[23] E. Zhang, X. Dai, Y. Zhu, Q. Chen, Z. Sun, X. Qiu, X. Ji, Associating behavior of one polyimide with high molecular weight in solution through a relatively weak interaction, Polymer, 141, 166, 2018.

[24] S. Yang, Y. Zhu, H. Qian, Z. Lu, Molecular Dynamics Simulation of Antipolyelectrolyte Effect and Solubility of Polyzwitterions, Chemical Research in Chinese Universities, 33, 261, 2017.

[25] H.-W. Pei, X.-L. Liu, H. Liu, Y.-L. Zhu, Z.-Y. Lu, Enhancement of surface nonwettability by grafting loops, Physical Chemistry Chemical Physics, 19, 4710, 2017.

[26] J. Hu, L. Gao, Y. Zhu, P. Wang, Y. Lin, Z. Sun, S. Yang, Q. Wang, Chiral Assemblies from an Achiral Pyridinium-Tailored Anthracene, Chemistry-a European Journal, 23, 1422, 2017.

[27] H.-W. Pei, H. Liu, Y.-L. Zhu, Z.-Y. Lu, Understanding the wettability of a hairy surface: effect of hair rigidity and topology, Physical Chemistry Chemical Physics, 18, 18767, 2016.

[28] K. Pan, Y. Zhu, C. Fu, Y. Huang, Z. Sun, Simulation on the Static and Dynamic Properties of Linear, Comb-like and Star-like Polymers, Chemical Journal of Chinese Universities-Chinese, 37, 1196, 2016.

[29] D. Xu, H. Liu, Y.-L. Zhu, Z.-Y. Lu, Three-dimensional inverse design of nanopatterns with block copolymers and homopolymers, Nanoscale, 8, 5235, 2016.

[30] Y.-W. Li, Y.-L. Zhu, Z.-Y. Sun, Probing heterogeneous dynamics from spatial density correlation in glass-forming liquids, Physical Review E, 94, 2016.

[31] Z.-W. Li, Y.-L. Zhu, Z.-Y. Lu, Z.-Y. Sun, Supracolloidal fullerene-like cages: design principles and formation mechanisms, Physical Chemistry Chemical Physics, 18, 32534, 2016.

[32] Z.-W. Li, Y.-L. Zhu, Z.-Y. Lu, Z.-Y. Sun, A versatile model for soft patchy particles with various patch arrangements, Soft Matter, 12, 741, 2016.

[33] B. Wang, L. Chen, Y. Sun, Y. Zhu, Z. Sun, T. An, Y. Li, Y. Lin, D. Fan, Q. Wang, Development of phenylboronic acid-functionalized nanoparticles for emodin delivery, Journal of Materials Chemistry B, 3, 3840, 2015.

[34] Y.-W. Li, Y.-L. Zhu, Z.-Y. Suna, Decoupling of relaxation and diffusion in random pinning glass-forming liquids, Journal of Chemical Physics, 142, 2015.

[35] H.-W. Pei, H. Liu, Z.-Y. Lu, Y.-L. Zhu, Tuning surface wettability by designing hairy structures, Phys. Rev. E, 91, 2015.

[36] T. Chen, H.-J. Qian, Y.-L. Zhu, Z.-Y. Lu, Structure and Dynamics Properties at Interphase Region in the Composite of Polystyrene and Cross-Linked Polystyrene Soft Nanoparticle, Macromolecules, 48, 2751, 2015.

[37] Y. Li, Y.-L. Zhu, Y.-C. Li, H.-J. Qian, C.-C. Sun, Self-assembly of two-patch particles in solution: a Brownian dynamics simulation study, Molecular Simulation, 40, 449, 2014.

[38] J. Zhang, Y.-L. Zhu, H.-W. Pei, H. Liu, Self-assembly of Amphiphilic Graft Copolymer in Selective Solvent, Chemical Journal of Chinese Universities-Chinese, 34, 939, 2013.

[39] Z.-W. Li, Z.-Y. Lu, Y.-L. Zhu, Z.-Y. Sun, L.-J. An, A simulation model for soft triblock Janus particles and their ordered packing, Rsc Advances, 3, 813, 2013.

[40] Y.-H. Xue, Y.-L. Zhu, W. Quan, F.-H. Qu, C. Han, J.-T. Fan, H. Liu, Polymer-grafted nanoparticles prepared by surface-initiated polymerization: the characterization of polymer chain conformation, grafting density and polydispersity correlated to the grafting surface curvature, Physical Chemistry Chemical Physics, 15, 15356, 2013.

[41] W. Wang, Y.-L. Zhu, H.-J. Qian, Z.-Y. Lu, Synthesize Multiblock Copolymers via Complex Formations between,beta-Cyclodextrin and Adamantane Groups Terminated at Diblock Copolymer Ends: A Brownian Dynamics Simulation Study, Journal of Physical Chemistry B, 117, 16283, 2013.

[42] B. Li, Y.-L. Zhu, D. Xu, H.-W. Pei, H. Liu, Computer Simulation of Vesicle Structure from Self-assembly of Miktoarm Star-like Block Copolymers in Dilute Solution, Chemical Journal of Chinese Universities-Chinese, 34, 1667, 2013.

[43] H. Liu, Y.-L. Zhu, J. Zhang, Z.-Y. Lu, Z.-Y. Sun, Influence of Grafting Surface Curvature on Chain Polydispersity and Molecular Weight in Concave Surface-Initiated Polymerization, ACS Macro Lett., 1, 1249, 2012.

[44] B. Li, Y.-L. Zhu, Z.-Y. Lu, Different micellization behavior of miktoarm star-like and diblock copolymers, Journal of Chemical Physics, 137, 2012.

[45] B. Li, Y.-L. Zhu, Z.-Y. Lu, Note: Different micellization behavior of miktoarm star-like and diblock copolymers, J. Chem. Phys., 137, 246102, 2012.

[46] B. Li, Y.-L. Zhu, H. Liu, Z.-Y. Lu, Brownian dynamics simulation study on the self-assembly of incompatible star-like block copolymers in dilute solution, Phys. Chem. Chem. Phys., 14, 4964, 2012.