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Qian Hu-Jun
Physical Chemistry
Simulation in soft matter systems


Contact Information
Short Biography

2015-Now, Professor, State Key Laboratory of Supramolecular Structure and Materials & Institute of Theoretical Chemistry, Jilin University

2011-2015, Associate Professor, Institute of Theoretical Chemistry, Jilin University

2009-2011, Postdoc, Department of Chemistry, Nagoya University, Japan

2007-2009, Postdoc, Department of Chemistry, Technical University of Darmstadt, Germany

2002-2007, PhD in Physical Chemistry, Institute of Theoretical Chemistry, Jilin University

1998-2002, Bachelor in Polymer Materials and Engineering, Department of Chemistry, Jilin University

Research Interest

The main research interests in our group are to develop and utilize multiscale simulation approaches to study various interesting phenomena in soft matter systems, especially for polymer systems in bulk, in solution and at interfaces. Topics in our group include:

1. Self-assembly behavior of polymers, nanoparticles in solution and in bulk

2. Dynamics and structure properties of polymer systems, especially for polymer/nanoparticle composite systems

3. Macroscopic properties of polymer/nanoparticle composites measured at non-equilibrium conditions (viscosity & mechanical properties)

4. Develop simulation models, methods and software for MD simulations

Honors & Awards

2015 The excellent young scientist foundation of NNSFC.


[ Selected Publications ]

A full publication list is available from ResearcherID: http://www.researcherid.com/rid/A-1683-2009

1. Xiang-Meng Jia, Rui Shi, Gui-Sheng Jiao, Tao Chen, Hu-Jun Qian*, Zhong-Yuan Lu, “Temperature Effect on Interfacial Structure and Dynamics Properties in Polymer/Single-Chain Nanoparticle Composite”, Macromolecular Chemistry and Physics,2017, 218, 1700029.

2. Rui Shi, Hu-Jun Qian* and Zhong-Yuan Lu, “Computer simulation study on the self-assembly of unimodal and bimodal polymer-grafted nanoparticles in a polymer melt”, Phys. Chem. Chem. Phys., 2017, 19, 16524.

3. Gui-Sheng Jiao, Yue Li, Hu-Jun Qian*, Zhong-Yuan Lu, “Computer simulation study of polydispersity effect on the phase behavior of short diblock copolymers”, Polymer, 2016, 96, 6.

4. Sheng-Chun Yang, Yong-Lei Wang, Gui-Sheng Jiao, Hu-Jun Qian,* and Zhong-Yuan Lu, “Accelerating Electrostatic Interaction Calculations with Graphical Processing Units Based on New Developments of Ewald Method Using Non-Uniform Fast Fourier Transform”, J. Comp. Chem., 2016, 37, 378.

5. Tao Chen, Hu-Jun Qian,* You-Liang Zhu, and Zhong-Yuan Lu, “Structure and Dynamics Properties at Interphase Region in the Composite of Polystyrene and Cross-Linked Polystyrene Soft Nanoparticle”, Macromolecules, 2015, 48, 2751.

6. Yue Li, Hu-Jun Qian*, Zhong-Yuan Lu*, and An-Chang Shi*, “Enhancing composition window of bicontinuous structures by designed polydispersity distribution of ABA triblock copolymers”, Polymer, 54, 6253-6260, 2013.

7. Hossein Ali Karimi-Varzaneh, Hu-Jun Qian*, Xiaoyu Chen, Paola Carbone, and Florian Müller-Plathe. “IBIsCO: A molecular dynamics simulation package for coarse-grained simulation”, J. Comp. Chem., 32, 1475, 2011.

8. Hu-Jun Qian*, Paola Carbone, Xiaoyu Chen, Hossein Ali Karimi-Varzaneh, Chee Chin Liew, and Florian Müller-Plathe, “Temperature transferable coarse-grained potentials for ethylbenzene, polystyrene and their mixtures”, Macromolecules, 41, 9919, 2008.

9. Hu-Jun Qian, Li-Jun Chen, Zhong-Yuan Lu*, and Ze-Sheng Li, “Surface diffusion dynamics of a single polymer chain in dilute solution”, Phys. Rev. Lett., 99, 068301, 2007

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