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个人简介

Professional Experience 2020 - Full Professor with Tenure, in Department of Chemical Engineering, Tsinghua University, China 2017 - 2020 Tenured Associate Professor, Principal Investigator, in Department of Chemical Engineering, Tsinghua University, China 2011 - 2017 Associate Professor, in Department of Chemical Engineering, Tsinghua University, China 2010 - 2011 Postdoc Research Fellowship, in Department of Chemical Engineering, University of Pittsburgh, USA (Prof. Anna C Balazs) "Using Simulations & Models to Design Polymer-Based Cells for Harvesting Solar Energy" 2007 - 2009 Humboldt Research Fellowship, in Department of Physical Chemistry II, University of Bayreuth, Germany (Prof. Alexander B?ker and Prof. Andreas Fery) " Simulations of the Structures and Dynamics for the Assembles of Functinal Nanoparticles in Various Soft Matter systems" 2000 - 2002 CAE Engineer, Group Leader in C3P Center, Qingdao Haier Molds Co Ltd. Education 2004 - 2007 PH.D, in Department of Chemical Engineering, Tsinghua University, China (Prof. Xu-Ming Xie): "Numerical Simulations of Surface-Directed Phase Separation in Polymer Binary Mixtures". 2002 - 2004 M.S., in School of Materials Science and Technology, Tianjin University, China (Prof. Jing Sheng): "Image Analysis on the Phase Formation of Multi-component Polymer Blends".

研究领域

The research in our group focuses on computational macromolecular science, materials design and self-assembly. We use multiscale modeling and simulation methods as well as theoretical analysis to explore the basic science and the fundamental principles in the interdisciplines covering the fields of polymer, nanoscience, biomacromolecules and biomembrane. The research topics include the conformational behaviors and interactions of polyelectrolytes with various molecular architectures, the phase transition kinetics and mechanisms of polymer blends and copolymers, and the hierarchical structures formed by the self-assembly of nanoparticles in polymer systems. The interactions of some functional macromolecules, such as dendrimers and graphene-family materials, with the lipid bilayer membrane have also been explored by using mesoscale simulations and theoretical analysis. Two main research directions are introduced in more detail as follow. 1. Rational self-assembly and responsive matter in systems containing anisotropic nano building blocks. In recent years, the request of next generation materials has driven material design into the ability to reversibly adapt to their environment and possess a wide range of responses. Simultaneously, two powerful design concepts: responsive matter and rational self-assembly emerge and play considerable role in this quickly developing area. The promising concept of responsive matter requires that intrinsic building blocks be able to reconfigure from one structure to another. For the concept of rational self-assembly, the building blocks should be carefully chosen and constructed in order to realize a high level of direction and control. A unique and emerging type of such building blocks are “patchy nanoparticles”, i.e, the nanoparticles decorated with specific, anisotropic surface patterns of attractive and repulsive interactions. Through a unique design with respect to particle size and shape as well as the number and position of the “patches”, these particles can be successfully directed to self-organize into complex superstructures. In this topic, we aim to use computer simulation method to design "Reconfigurable Nanoparticles" on the basis of static patchy nanoparticles. The self-assembled structures of tethered polymer chains on the nanoparticle surface and the hierarchically ordered structures formed through rational self-assembly of these tethered nanoparticles in polymer matric will be explored by using a hybrid model developed by us. Furthermore, the external fields will be induced into these systems to investigate the responses of these nanocomposites in the presence of various environments, from their multiscale structures to the macroscopic properties. The study could provide theoretical guidelines for the design of functional nanocomposites with responsive properties and precisely controllable topologies in a dynamical manner, e.g., reconfigurable, self-healing and smart materials, and might demonstrate significantly advancement and intuitive framework for the research of this important topic. 2. The transmembrane transport of functional macromolecules across cell membrane. Understanding the interactions of nanoparticles with biological membranes is of fundamental importance in determining their potential application as drug delivery vehicles and therapeutic agents. As a framework in multifunctional nanodevices, dendrimers are particularly useful in the development of targeted chemotherapeutic agents. To understand the dynamical process and mechanisms of the transmembrane transport of dendrimers however requires direct measurements in a single cell and is thereby very difficult and more challenging. Tailored computer simulations offer a unique approach to address these unresolved issues through identifying and separating individual contributions to the phenomenon. In this topic, the dynamical process and mechanisms during the internalization of dendrimers across a lipid bilayer membrane are investigated by employing systematically mesoscopic simulations and theoretical analysis.

近期论文

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Ziyang Xu, Guoqiang Liu, Lijuan Gao, Duo Xu, Haixiao Wang, Xiaobin Dai, Xuanyu Zhang, Lei Tao, Li-Tang Yan*, Configurational entropy-enabled thermostability of cell membranes in extremophiles: From molecular mechanism to bioinspired design, Nano Letters 2023, doi.org/10.1021/acs.nanolett.2c04939. Xiaobin Dai, Zhichao Zhu, Yujie Li, Bo Yang, Jiang-Fei Xu, Yuanchen Dong, Xin Zhou, Li-Tang Yan,* Dongsheng Liu* “Shutter” Effects Enhance Protein Diffusion in Dynamic and Rigid Molecular Networks, Journal of the American Chemical Society 2022, 144,19017–19025. Xiaobin Dai, Xuanyu Zhang, Lijuan Gao, Ziyang Xu, Li-Tang Yan*, Topology Mediates Transport of Nanoparticles in Macromolecular Networks, Nature Communications 2022, 13,4094. Guolong Zhu, Lijuan Gao, Ziyang Xu, Xiaobin Dai, Xuanyu Zhang, and Li-Tang Yan*, Entropy-driven unconventional crystallization of spherical colloidal nanocrystals confined in wide cylinders, Nano Letters 2021, 21(19), 8439–8446. Ziyang Xu, Xiaobin Dai, Xiangyu Bu, Ye Yang, Xuanyu Zhang, Xingkun Man, Xinghua Zhang*, Masao Doi and Li-Tang Yan*, Enhanced Heterogeneous Diffusion of Nanoparticles in Semiflexible Networks, ACS Nano 2021, 15, 4608?4616. Guoqiang Liu, Ziyang Xu, Xiaobin Dai, Yuan Zeng, Yen Wei, Xianzhe He, Li-Tang Yan*, Lei Tao*, De novo Design of Entropy-Driven Polymers Resistant to Bacterial Attachment via Multicomponent Reactions, Journal of the American Chemical Society 2021, 143(41), 17250–17260. Guolong Zhu, Ziyang Xu, and Li-Tang Yan*, Entropy at Bio-Nano Interfaces, Nano Letters 2020, 20(8), 5616-5624. Pengyu Chen, Ziyang Xu, Guolong Zhu, Xiaobin Dai and Li-Tang Yan*, Cellular Uptake of Active Particles, Physical Review Letters 2020, 124(19), 198102. (Selected as PRL Editors' Suggestion) Pengyu Chen, Hua Yue, Xiaobo Zhai, Zihan Huang, Guanghui Ma, Wei Wei* and Li-Tang Yan*, Transport of graphene nanosheet sandwiched inside cell membranes, Science Advances 2019, 5, eaaw3192. Zihan Huang, Guolong Zhu, Pengyu Chen, Cuiling Hou and Li-Tang Yan*, Plastic crystal-to-crystal transition of Janus particles under shear, Physical Review Letters 2019, 122(19), 198002.

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