Difference between revisions of "Baofu Qiao"

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== RESEARCH EXPERIENCES: ==
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Dr. Qiao got his PhD degree in 2006 at Institute of Chemistry, Chinese Academy of Sciences, where he majored in Polymer Physics and learned Statistical Thermodynamics and Monte Carlo simulation method. His PhD Dissertation was "Statistical Thermodynamics of Polymer Fluid Systems". Since as early as 2005, he stated to investigate charged systems, e.g., ionic liquid, polyelectrolyte and surfactant, by means of molecular dynamics method.
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'''2009.4 - present:''' MD and CG simulations
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Now, he is working to understand the properties of [http://www.ica1.uni-stuttgart.de/~icp/Polyelectrolyte_Multilayers Polyelectrolyte Multilayers (PEM)].
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Due to the unique properties, Polyelectrolyte Multilayers (PEM), which are built up from self-assembly of polyelectrolytes using Layer-by-Layer technique, have been found applications ranging from optimical matirials, sensors and medicine, etc. However, the huge experimental success on building such materials is not actually corresponded with a clear understanding of the basic physical phenomena, which are involved in the successful formation of PEM and the properties that PEMs display in lab. The major goal is to develop a consistent PEM model that resembles the experimental system. we will clarify the factors critical to stabilize the PEM formation, and explain the mechanism in the formation of exponential growing films.
 
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Studying the mechanism of cellulose dissolution in Ionic Liquids. In cooperation with Prof. Dongju Zhang (Shandong University, China)
 
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'''2007.12 - 2009.3:''' MD, QM and DPD simulations
 
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''Assistant Professor at Institute of Chemistry, Chinese Academy of Sciences''
 
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Studying the mechanism of cellulose dissolution in Ionic Liquids based on hydrogen bond interaction investigation. Three ionic liquids are involved, i.e., 1,3-dimethylimidazolium chloride, 1-butyl-3-methylimidazolium chloride, and 1-Allyl-3-methylimidazolium Chloride. Because the OPLS-AA force field for glucose is focusing on alpha-glucose, the force field parameters of beta-glucose are developed hereby, and also those of 1-Allyl-3-methylimidazolium Chloride.
 
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Instructed a PhD student to study Critical Micelle Concentration (CMC) behavior of water/gas/surfactant systems with different surfactants.
 
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'''2006.7 - 2007.11:''' MD simulation
 
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''Guest scientist at Frankfurt Institute for Advanced Studies''
 
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''Member of the theory group at Max-Planck Institute for Polymer Research (Mainz)''
 
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Room-temperature ionic liquids, advertised as "green solvents" and "designer solvents", have received an ever-increasing interest in recent decades. Our work is focusing on understanding the dyanmics and microscopic structures of ionic liquids. Classical molecular dynamics simulations are performed to systematically study the effect of anions on the structure and dynamics of ionic liquids.
 
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'''2002.9 - 2006.5:''' Statistical Thermodynamics, MC and MD simulations
 
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''PhD candidate at Institute of Chemistry, Chinese Academy of Sciences''
 
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Proposed and simulated the concept of "volume fraction at chain-end" to overcome the mean-field approximation in Flory-Huggins theory. Presented a theory of polymer solution systems based on this concept.
 
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Studied the phase diagram, the negative pressure, the solubility parameter, the vapor pressure and some other properties of pure polymer fluid systems by extending our group's theory.
 
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Participated a project to study the effects of polymers in surfactant/oil/water systems. In cooperation with professor Xiaozhen Yang.
 
  
 
== '''Selected Publications:''' ==
 
== '''Selected Publications:''' ==

Revision as of 08:53, 18 October 2010

Qiao Baofu.jpg
Dr. Baofu Qiao
Postdoc
Office:209
Phone:+49 711 685-63607
Fax:+49 711 685-63658
Email:qiaobf _at_ icp.uni-stuttgart.de
Address:Dr. Baofu Qiao
Institute for Computational Physics
Universität Stuttgart
Allmandring 3
70569 Stuttgart
Germany


Dr. Qiao got his PhD degree in 2006 at Institute of Chemistry, Chinese Academy of Sciences, where he majored in Polymer Physics and learned Statistical Thermodynamics and Monte Carlo simulation method. His PhD Dissertation was "Statistical Thermodynamics of Polymer Fluid Systems". Since as early as 2005, he stated to investigate charged systems, e.g., ionic liquid, polyelectrolyte and surfactant, by means of molecular dynamics method.

Now, he is working to understand the properties of Polyelectrolyte Multilayers (PEM).

Selected Publications:

    • Baofu Qiao and Juan J. Cerdà and Christian Holm.
      "Poly(styrenesulfonate)-Poly(diallyldimethylammonium) Mixtures: Toward the Understanding of Polyelectrolyte Complexes and Multilayers via Atomistic Simulations".
      Macromolecules 43(18)(7828–7838), 2010.
      [PDF] (3 MB) [DOI]
    • Hui Sun and Baofu Qiao and Dongju Zhang and Chengbu Liu.
      "Structure of 1-Butylpyridinium Tetrafluoroborate Ionic Liquid: Quantum Chemistry and Molecular Dynamic Simulation Studies".
      Journal of Physical Chemistry A 114(3990–3996), 2010.
      [PDF] (4 MB) [DOI]
    • Juan J. Cerdà and Baofu Qiao and Christian Holm.
      "Understanding polyelectrolyte multilayers: an open challenge for simulations".
      Soft Matter 5(4412–4425), 2009.
      [PDF] (2 MB) [DOI]
    • Juan J. Cerdà and Baofu Qiao and Christian Holm.
      "Modeling strategies for polyelectrolyte multilayers".
      European Journal of Physics Special Topics 177(1)(129–148), 2009.
      [PDF] (971 KB) [DOI]
    • Baogen Duan and Xiongfei Zhang and Baofu Qiao and Bin Kong and Xiaozhen Yang.
      "Description of Ionic Surfactant/Water System by Adjusting Mesoscopic Parameters".
      Journal of Physical Chemistry B 113(26)(8854–8859), 2009.
      [DOI]
    • Baofu Qiao and Christian Krekeler and Robert Berger and Luigi Delle Site and Christian Holm.
      "Effect of Anions on Static Orientational Correlations, Hydrogen Bonds, and Dynamics in Ionic Liquids: A Simulational Study".
      The Journal of Physical Chemistry B 112(6)(1743–1751), 2008.
      [PDF] (361 KB) [DOI]
    • Krekeler, Christian and Schmidt, Jochen and Zhao, Yuan Yuan and Qiao, Baofu and Berger, Robert and Holm, Christian and Delle Site, Luigi.
      "Study of 1,3-dimethylimidazolium chloride with electronic structure methods and force field approaches".
      The Journal of Chemical Physics 129(17)(174503), 2008.
      [PDF] (640 KB) [DOI]
    • Florian Dommert and Jochen Schmidt and Baofu Qiao and Yuanyuan Zhao and Christian Krekeler and Luigi Delle Site and Robert Berger and Christian Holm.
      "A comparative study of two classical force fields on statics and dynamics of [EMIM][BF$_4$] investigated via molecular dynamics simulations".
      Journal of Chemical Physics 129(22)(224501), 2008.
      [PDF] (642 KB) [DOI]
    • Baofu Qiao and Delu Zhao.
      "A theory of polymer solutions without the mean-field approximation in Flory-Huggins theory".
      Journal of Chemical Physics 121(10)(4968–4973), 2004.
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