Members of the Group

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Former Members
 

 
Dr Xingliang Peng
Former Postdoc (2019 - 2021, Tsinghua University)

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Research interests:

  • Organic photochemistry and photophysical reaction mechanism;
  • Organic semiconductor charge transport.

Research Associate Qikai Li

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S504 (Meng Min Wei SciTech Bld., TU)
+86-10-62794315
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Qikai Li Biosketch

Research interests:

  • Computational materials science
  • MD, MC, and ab init simulations
  • Parallel computing
Dr Qi Ou
Former Postdoc (2019 - 2021, Tsinghua University)
Quantum chemistry research scientist at the Artificial Intelligence for Science Institute (AISI) (北京科学智能研究院)

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Research interests:

  • Theoretical study on light-emitting materials;
  • Nonadiabatic methodologies;
  • Q-Chem development.
Dr Yu Wang
Former Postdoc (2019 - 2021, Tsinghua University)

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Research interests:

  • Excited state decay in organic light-emitting materials

M. S. Sheng Huang
Former Master student (2015 - 2021, Tsinghua University)

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Research interests:

  • 2-d layered inorganic materials
  • band structure calculation

Dr Lu Wang
Former Ph.D student (2016 - 2021, Tsinghua University)
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Research interests:

  • Excited state decay in organic light-emitting materials
Professor Qian Peng 
Faculty Member at UCAS

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Qian Peng Biosketch

Research interests:

  • Excited state decay in organic light-emitting materials
  • Photoelectric properties of organic materials

Dr Deping Hu
Former Postdoc (2018 - 2020, Tsinghua University)

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Deping Hu Biosketch

Research interests:

  • Excited state decay in organic light-emitting materials;
  • Nonadiabatic dynamics;
  • Machine learning.

M.S. Yunpeng Liu
Former Master student (2016 - 2019, Tsinghua University)
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Research interests:

  • Thermoelectric transport in organic materials

Dr Jahanzeb Khan
Former Ph.D student (2015 - 2019, Tsinghua University)
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Research interests:

  • MD simulation of supramolecular self-assembly
  • Computational Analysis of S-type Biological Systems
  • Mixed Quantum-Classical Calculatios In Biological Systems
  • Organic solar cells and properties of LED

Dr Yajing Sun
Former Ph.D. student (2014 - 2019, Tsinghua University)
Faculty Member at Department of Chemistry, School of Science, Tianjin University
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Research interests:

  • thermal conductivity

Dr Gururaj Kudur Jayaprakash
Former Postdoc (2017 - 2019, Tsinghua University)
Assitant Professor at the Shoolini University, Himachal Pradesh State, India.

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Gururaj Kudur Jayaprakash Biosketch

Research interests:

  • Computational study on the carrier transport and thermoelectric property for the novel 2-dimensional nanomaterials including carbon-based nanosheet.
  • Interrelating quantumchemical and electrochemical properties of carbon materials.

Dr Feifei He
Former Postdoc (2016 - 2018, Tsinghua University)
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Research interests:

  • Design of high-performance Organic Donor-Acceptor semiconductor

Dr Wenqiang Li
Former PhD student (2013-2018, Tsinghua University)
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Research interests:

  • Excited state decay in organic light-emitting materials
  • Vibrationally resolved absorption and emission spectra with aggregation effect

Dr Tianqi Zhao
Former PhD student (2013-2018, Tsinghua University)
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Research interests:

  • Electron-phonn interaction 
  • 2-d layered inorganic alloys

M.S. Xu Zhang
Former Master student (2015 - 2018, Tsinghua University)
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Research interests:

  • Excited state decay in organic light-emitting materials

Assoc. Prof. Hua Geng
Former Ph.D. student (2003-2011, ICCAS)
Faculty Member at the Department of Chemistry, Capital Normal University

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Research interests:
  • Band structure calculation
  • Charge transfer in organic materials
  • Molecular electronics

Assoc. Prof. Huili Ma
Former Post-doc (2014-2017, Tsinghua University)
Faculty Member at the Department of Chemistry, Nanjing Tech University

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Research interests:
  • Theoretical study of Room Temperature Phosphorescence 
  • The development of theoretically optical spectroscopy for addressing fundamental questions in bio- and nano-systems

M.S. Yuma Nakamura
Former M.Sc student (2015-2017, Tsinghua University)

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Research interests:
  • Spintronics
  • Anisotropic charge transport in organic semiconductor
  • Electron-phonon coupling

Dr. Changli Cheng
Former PhD student (2012-2017, Tsinghua University)

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Research interests:
  • Charge and spin transport in organic material

Dr. Wen Shi
Former PhD student (2012-2017, Tsinghua University)
Research fellow at Institute of High Performance Computing

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Research interests:
  • Multiscale simulations of organic thermoelectric materials
  • Understanding the charge transport process in organic semiconductors
  • Thermal transport in organic materials

Assoc.Prof. Gang Zhou
Former Postdoc (2014-2016, Tsinghua University)
Associate Professor at Guilin University of Electronic Technology

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Gang Zhou Biosketch
Research interests:
  • Thermal and thermoelectric transport properties in inorganic materials
  • Magnetic properties of low-dimensional systems

Dr Lili Zhu
Former Postdoc (2014-2016, Tsinghua University)
Staff at RedHat Co. Ltd.

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Lili Zhu Biosketch
Research interests:
  • Photophysical properties in organic light-emitting materials
  • Theoretical methods to simulate quantum dynamics in condensed phase

Assist. Prof. Zhiying Ma
Former PhD student (2011-2016, Tsinghua University)
Faculty Member at the Engineering Research Center for Nanomaterials, Henan University 

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Research interests:

  • Charge transfer in organic materials
  • Prediction of organic crystal structure

Assist. Prof. Tian Zhang
Former PhD student (2011-2016, Tsinghua University)
Faculty Member at the School of Chemical Engineering, Shandong University of Technology
 

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Research interests:

  • Electronic properties of pi-conjugated SAM on Au(111) surface
  • Excited state decay and aggregation induced emission

M.S. Jianfeng Chen
Former Master student (2013-2016, Tsinghua University)
Staff at Zhongtai Securities
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Research interests:

  • Multiscale simulation of self-assembly of supramolecule

Assist. Prof. Yuqian Jiang
Former PhD student (2010-2015, Tsinghua University)
Assistant Professor at the National Center for Nanoscience and Technology (2015- date)
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Research interests:

  • Photophysical properties in organic materials
  • Charge transport in organic materials

 

M.S. Di Fan
Former Master student (2012-2015, ICCAS & Nanchang University)
Staff at Sifang Co. Ltd.
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Research interests:

  • Excited state decay in organic light-emitting materials
  • The up-conversion mechanism of the thermally activated delayed fluorescence for organic light-emitting diodes

 

  
Dr Xing Gao
Former PhD student (2009-2014, Tsinghua University)
Post-doc at German Max Planck Institute (Germany) 2014 - 2020
Faculty Member at Sun Yat-sen University
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Research interests:

  • Excited state dynamics in polyatomic molecules
  • Time-dependent Many-Body theory

 

Assist. Prof. Jinyang Xi
Former PhD student (2009-2014, Tsinghua University)
Post-doc at Fudan University (Shanghai) 2014-2016
Assistant Professor at Shanghai Univeristy
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Research interests:

  • Band structure calculation
  • First-Principles Evaluation of Electron-Phonon Couplings and charge transport

 

Dr Xiaoyan Zheng
Former PhD student (2010-2014, Tsinghua University)
Faculty Member at Beijing Institute of Technology

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Research interests:

  • Multiscale simulation of self-assembly of supramolecule
  • Theoretical study of charge transport process

 


 
Dr Jianming Chen
Former PhD student (2007-2013, ICCAS)
Post-doc at University of Colorado at Boulder (U.S.A.) 2013-2016
Staff in Hongzhiwei techmology (Shanghai) Co. LTD
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Assoc. Prof. Qunyan Wu
Former Post-doc (2011-2013, Tsinghua University)
Assoc. Prof. at the Inst. of High Energy Physics, Chinese Academy of Sciences (Beijing)
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Dr Qinwen Chen

Former Joint Student (with Prof. Lei Jiang) (2006-2011, ICCAS)
Senior engineer at institute of modern physics, Chinese Academy of Science

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Assoc. Prof. Lili Lin

Former Visiting Scientist (2012, Tsinghua) from Luo's group in Sweden
Faculty Member at the Department of Physics, Shandong Normal University
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Dr ChunMei Deng

Former PhD Student (2008-2011, ICCAS)
Staff at the Chinese Chemical Society Secretariat: Academic exchange, international affairs, ...
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Dr Yuan Shang

Former PhD Student (2006-2011, ICCAS)
Staff at National Supercomputing Center in Jinan
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Assist. Prof. Zhongyun Ma

Former PhD Student (2007-2011, ICCAS)
Faculty member  at Xiantang University, Xiangtan, Hunan Province

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Assist. Prof Yingli Niu

Former PhD Student (2007-2010, ICCAS)
Post-doc at the National Center for Nanoscience and Technology (Beijing)
Assistant Professor at Beijing Jiaotong University
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Assist. Prof. Ling Tang

Former Post-doc (2008-2010, Tsinghua University)
Faculty Member at the Zhejiang University of Technology (Hangzhou)
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Assoc. Prof. Mongqiu Long

Former Post-doc (2008-2010)
Associate Professor, Central South University (Changsha)

Assistant Dean of Science
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Assoc. Prof. Lingyi Meng

Former PhD student (2004-2009, ICCAS)
Post-doc at the Hong Kong University with Prof. GuanHua Chen (2009-2013)
Faculty member at the "Collaborative Innovation Center of Chemistry for Energy Metarial", Xiamen University 
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Prof. Linjun Wang
Department of Chemistry, Zhejiang University
Young 1000-Talent Scholar

Former PhD student (2004-2009, ICCAS)
Post-doc at University of Mons, Belgium, with Dr. David Beljonne (2009-2013)
Post-doc at University of Rochester with Prof. Oleg Prezhdo (2013-2015 )
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Assoc. Prof. Guangjun Nan

Former PhD student (2006-2009, ICCAS)

Postdoc in California State University Northridge (with Gang Lu) (2014-2015)

Marie-Curie Fellow in University of Mons (with David Beljonne)
Associate Professor at Harbin Institute of Technology (since 2011)
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Web:		 +86-451-86403305
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Assist. Prof. Liping Chen

Former PhD student (2003-2008, ICCAS)
Post-doc at ICCAS with Prof. Q. Shi (2008-2010),
Postdoc at the University of Mons with Dr. David Beljonne, Belgium (2010-2013),
Postdoc at the University of Rochester with Prof. Ignacio Franco (2013-2016)
Assistant Professor at Zhejiang University (since 2016)
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Web:		 +86-18667016286
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Dr Xiaodi Yang

Former PhD student (2003-2008, ICCAS)
Staff at the Institute of Advanced Materials, Fudan University (Shanghai)
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Web:		 +86-21-51630231
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Dr Lingyun Zhu

Former PhD student (2005-2008, ICCAS)
Post-doc at Georgia Inst. of Tech. with Prof. Jean-Luc Bredas (2008-2012)
Assoc. Prof. at the National Center for Nanoscience and Technology
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Web:		 +86-10-82545701
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Prof. Yuanping Yi

Former PhD student (2002-2008, ICCAS)
Postdoc with Prof. Jean-Luc Bredas at Georgia Tech (2008-2012)
Professor at ICCAS (2012, 12 - )
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Web:		 +86-10-62631259
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Prof. Qingxu Li

Former PhD student (2002-2007, ICCAS)
Professor at Chongqing Univ. of Posts and Telecommunications
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Prof. Shiwei Yin

Former PhD student (2002-2005)
Professor, Shanxi Normal University (Xi'an)

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+86-29-85308442
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