【21204029】聚合物/柔性聚合物纳米粒子复合体系的计算机模拟研究国家自然基金项目

聚合物/柔性聚合物纳米粒子复合体系的计算机模拟研究

项目批准号： 21204029

批准年份： 2012

学科分类： B0406.生命与公共安全分析

项目负责人：钱虎军

资助类别：青年科学基金项目

负责人职称：教授

依托单位：吉林大学

资助金额： 25万元

关键词：柔性纳米粒子;纳米复合物;计算机模拟;聚合物;聚合物纳米粒子

起止时间： 2013-01-01到2015-12-31

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序号	标题	类型	作者
1	Coarse-grained simulation study on the self-assembly of miktoarm star-like block copolymers in various solvent conditions	期刊论文	Bin Li\|Li Zhao\|Hu-Jun Qian\|Zhong-Yuan Lu\|
2	The influence of middle B-block polydispersity on the molecular configurations and lamellar structure characteristics of lamella-forming ABA triblock copolymers	期刊论文	Yue Li\|Hu-Jun Qian\|Zhong-Yuan Lu\|
3	Step-edge self-assembly during graphene nucleation on a nickel surface: QM/MD simulations	期刊论文	Meng-gai Jiao\|Zhi-Jian Wu\|Keiji Morokuma\|Stephan Irle\|
4	Synthesize multiblock copolymers via complex formations between \beta-cyclodextrin and adamantine groups terminated at diblock copolymer ends: A Brownian dynamics simulation study	期刊论文	Wei Wang\|You-Liang\|Hu-Jun Qian\|Zhong-Yuan Lu\|
5	Accelerating electrostatic interaction calculations with graphical processing units based on new developments of ewald method using non-uniform fast fourier transform	期刊论文	Wang Yong-Lei\|Jiao Gui-Seng\|Qian Hu-Jun\|Zhong-Yuan Lu\|
6	Note: Effects of polydispersity on the phase behavior of AB diblock and BAB triblock copolymer melts: A dissipative particle dynamics simulation study	期刊论文	Yue Li\|Hu-Jun Qian\|Zhong-Yuan Lu\|An-Chang Shi\|
7	The glass transition of polymers with different side-chain stiffness confined in free-standing thin films	期刊论文	Shi-Jie Xie\|Hu-Jun Qian\|Zhong-Yuan Lu\|
8	GALAMOST: GPU-accelerated large-scale molecular simulation toolkit	期刊论文	Zhan-Wei Li\|Hu-Jun Qian\|Giuseppe Milano\|Zhong-Yuan Lu\|
9	Graphene Nucleation from Amorphous Nickel Carbides: QM/MD Studies on the Role of Subsurface Carbon Density	期刊论文	Ying Wang\|Zhijian Wu\|Stephan Irle\|Keiji Morokuma\|
10	Quantum chemical simulations reveal acetylene-based growth mechanisms in the chemical vapor deposition synthesis of carbon nanotubes	期刊论文	Xiaona Wu\|Gyula Eres\|Keiji Morokuma\|Stephan Irle\|
11	Polymer brushes: A controllable system with adjustable glass transition temperature of fragile glass formers	期刊论文	Shi-Jie Xie\|Hu-Jun Qian\|Zhong-Yuan Lu\|
12	Synthesize Multiblock Copolymers via Complex Formations between,beta-Cyclodextrin and Adamantane Groups Terminated at Diblock Copolymer Ends: A Brownian Dynamics Simulation Study	期刊论文	Wei Wang\|You-Liang Zhu\|Hu-Jun Qian\|Zhong-Yuan Lu\|
13	交联聚合物软纳米粒子对线性熔体链松弛的逐级加速效应	会议论文
14	接枝纳米粒子复合物自组装行为研究	会议论文
15	Self-assembly of two-patch particles in solution: a Brownian dynamics simulation study	期刊论文	You-Liang Zhu\|Yan-Chun Li\|Hu-Jun Qian\|Chia-Chung Sun\|
16	Molecular Dynamics Study of Ionic Liquid Film Based on [emim][Tf2N] and [emim][TfO] Adsorbed on Highly Oriented Pyrolytic Graphite	期刊论文	Xiang-gui Xue\|Li Zhao\|Zhong-Yuan Lu\|Hu-Jun Qian\|
17	Enhancing composition window of bicontinuous structures by designed polydispersity distribution of ABA triblock copolymers	期刊论文	Yue Li\|Hu-Jun Qian\|Zhong-Yuan Lu\|An-Chang Shi\|
18	Self-assembly of two-patch particles in solution: a Brownian dynamics simulation study	期刊论文	You-Liang Zhu\|Yan-Chun Li\|Hu-Jun Qian\|Chia-Chung Sun\|
19	Backmapping 方法在研究聚苯乙烯熔体中的应用	会议论文
20	Coarse-grained simulation study on the self-assembly of miktoarm star-like block copolymers in various solvent conditions	期刊论文	Li Zhao\|You-Liang Zhu\|Hu-Jun Qian\|Zhong-Yuan Lu\|
21	Controllable Nanostructure Formation through Enthalpy-Driven Assembly of Polyoxometalate Clusters and Block Copolymers	期刊论文	Xu, Tianyang\|Li, Haolong\|Qian, Hujun\|Wu, Lixin\|
22	Structure and Dynamics Properties at Interphase Region in the Composite of Polystyrene and Cross-Linked Polystyrene Soft Nanoparticle	期刊论文	Chen, Tao\|Qian, Hu-Jun\|Zhu, You-Liang\|Lu, Zhong-Yuan\|
23	The influence of one block polydispersity on phase separation of diblock copolymers: The molecular mechanism for domain spacing expansion	期刊论文	Yue Li\|Hu-Jun Qian\|Zhong-Yuan Lu\|
24	Hard and soft confinement effects on the glass transition of polymers confined to nanopores	期刊论文	Xie, Shi-Jie\|Qian, Hu-Jun\|Lu, Zhong-Yuan\|

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