张现仁 - 北京化工大学 - 分子与材料模拟实验室

个人简介

Since Mar. 2005, Beijing University of Chemical Technology. Professor. Mar. 2003 - Mar. 2005, Chemistry laboratory, Ecole normale supérieure de Lyon (France). Postdoctoral. Jun. 2001 - Mar. 2003, College of material science and engineering., Beijing University of Chemical Technology. Postdoctoral. Jun. 1998 - Jun. 2001, Beijing University of Chemical Technology. Ph. D. in Chemical Engineering.

研究领域

本实验室基本研究宗旨是结合实验表征和合成手段，采用多尺度分子模拟方法来理论研究化工先进材料的模拟合成与制备，并采用量子化学以及分子模拟相结合的方法，设计调控无机相的表面物化特性，筛选表面改性剂，调控无机相在基本连续相中的分散状态和结构，实现化工先进材料的功能化和性能化，使化工先进材料体系的组织结构与性能的关系得到准确的理解和实验验证，从而使材料性能预测和材料结构理论设计成为可能，为精确设计并控制材料制备过程提供理论基础，实现化工先进材料的结构功能一体化，设计和发展智能和多级结构的新型材料主要研究内容包括：（1）化工中吸附分离材料的模拟合成与实验制备（2）纳米粒子催化剂的模拟合成与实验制备（3）表面活性剂与（生物）高分子性能的分子模拟（4）离子液体的力场开发与分子设计

近期论文

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Yawei Liu, Yumei Men, and Xianren Zhang*, Nucleation mechanism for vapor-to-liquid transition from substrates with nanoscale pores opened at one end,J. Chem. Phys., 2012, 137, 104701; doi: 10.1063/1.4749319 (Impact Factor 3.164) Yumei Men and Xianren Zhang*, Physical basis for constrained lattice density functional theory, J. Chem. Phys., 2012, 136, 124704; doi: 10.1063/1.3698197 (Impact Factor 3.164) Ye Li, Tongtao Yue, Kai Yang, Xianren Zhang*, Molecular modeling of the relationship between nanoparticle shape anisotropy and endocytosis kinetics, Biomaterials, 2012, 33, 4965-4973 (Impact Factor 7.604 ) Dongsheng Bai, Guangjin Chen, Xianren Zhang*,and Wenchuan Wang, Nucleation of the CO2 Hydrate from Three-Phase Contact Lines, Langmuir, 2012, 28, 7730−7736 (Impact Factor 4.187) Tongtao Yue and Xianren Zhang*, Cooperative Effect in Receptor-Mediated Endocytosis of Multiple Nanoparticles, ACS NANO, 2012, VOL.6 NO.4, 3196–3205 (Impact Factor 12.062) Dongsheng Bai, Xianren Zhang*, Guangjin Chen and Wenchuan Wang, Replacement mechanism of methane hydrate with carbon dioxide from microsecond molecular dynamics simulations, Energy Environ. Sci., 2012, 5, 7033-7041 (Impact Factor 11.653) Tongtao Yue and Xianren Zhang*, Signal transduction across cellular membranes can be mediated by coupling of the clustering of anchored proteins in both leaflets, PHYSICAL REVIEW E, 2012, 85, 011917(Impact Factor 2.313) Yawei Liu and Xianren Zhang*, Nanobubble stability induced by contact line pinning, J. Chem. Phys., 2013,138, 014706 (Impact Factor 3.164) Tongtao Yuea, Diwen Feng and Xianren Zhang*, The interplay between the clustering of transmembrane proteins and coupling of anchored membrane proteins, Molecular Simulation, 2013 (Impact Factor 1.056) Dongsheng Bai, Bei Liu, Guangjin Chen, Xianren Zhang* and Wenchuan Wang, Role of Guest Molecules on the Hydrate Growth at Vapor-Liquid Interfaces, AIChE Journal, 2013, Vol. 59 No. 7, 2621-2629 (Impact Factor 2.493) Tongtao Yueab and Xianren Zhang*, Molecular modeling of the pathways of vesicle–membrane interaction, Soft Matter, 2013, 9, 559–569 (Impact Factor 3.909) Edwin H. Shin, Ye Li, Umesh Kumar, Hursh V. Sureka, Xianren Zhang and Christine K. Payne*, Membrane potential mediates the cellular binding of nanoparticles, Nanoscale, 2013, 5, 5879–5886 (Impact Factor 6.233) Xiaoming Chen, Falin Tian, Xianren Zhang* and Wenchuan Wang, Internalization pathways of nanoparticles and their interaction with a vesicle, Soft Matter, 2013, 9, 7592–7600 (Impact Factor 3.909) Ye Li, Xianren Zhang* and Dapeng Cao*, Self-Assembly of Patterned Nanoparticles on Cellular Membranes: Effect of Charge Distribution, J. Phys. Chem. B, 2013, 117, 6733−6740 (Impact Factor 3.607) Bo Zhang, Jianjun Wang, and Xianren Zhang*, Effects of the Hierarchical Structure of Rough Solid Surfaces on the Wetting of Microdroplets, Langmuir , 2013, 29, 6652−6658 (Impact Factor 4.187) Yawei Liu and Xianren Zhang*, Evaporation dynamics of nanodroplets and their anomalous stability on rough substrates, PHYSICAL REVIEW E, 2013, 88，012404 (Impact Factor 2.313) Yawei Liu, Jianjun Wang and Xianren Zhang*, Accurate determination of the vapor-liquid-solid contact line tension and the viability of Young equation, SCIENTIFIC REPORTS,2013, 3 : 2008 | DOI: 10.1038/srep02008 (Impact Factor 2.927) Ye Li, Xianren Zhang* & Dapeng Cao，The Role of Shape Complementarity in the Protein-Protein Interactions，SCIENTIFIC REPORTS, 3 : 3271 | DOI: 10.1038/srep03271 2013(Impact Factor 2.927) Yawei Liu, Jianjun Wang, Xianren Zhang*, and Wenchuan Wang，Contact line pinning and the relationship between nanobubbles and substrates，THE JOURNAL OF CHEMICAL PHYSICS，2014，140, 054705 (Impact Factor 3.164) Qiumin Guo, Yawei Liu, Guangfeng Jiang and Xianren Zhang*，Condensation of droplets on nanopillared hydrophobic substrates，Soft Matter, 2014, 10, 1182–1188(Impact Factor 3.909)