Members of the Group

 

Professor Zhigang Shuai (帅志刚)

Office:
Phone:
Email:
Web:

404b (Teaching C Bld., CUHK(SZ))
+86-755-23519615
zgshuai AT tsinghua.edu.cn; shuaizhigang AT cuhk.edu.cn
Zhigang Shuai Biosketch

Research interests:

  • Excited states structure and decay dynamics
  • Charge transport in organic and carbon materials
  • Molecular design of organic functional materials
  • MD simulation of supramolecular self-assembly
Research Assistant

Mr Cunxi Gong （宫存玺)
2024 -

Office:
Phone:
Email:
Web:

405b (Teaching C Bld., CUHK(SZ))
+86-18829475699
ansatzMe AT outlook.com
Professional Website

Research interests:

  • Quantum Computation
  • TensorNetwork
  • Machine Learning
Postdoctoral Research Associates
 

Dr Tianhao Tan (谭天豪)
2024-

Office:
Phone:
Email:
Web:

405b (Teaching C Bld., CUHK(SZ))
+86-755-23519751
tth19 AT mails.tsinghua.edu.cn
Professional Website

Research interests:

  • Machine learning-assisted inverse design of organic opto-electronic materials;
  • Machine learning-assisted multi-scale simulations of OLED devices.

Dr Yaxin Wang (王雅欣)
2024-
 

Office:
Phone:
Email:
Web:

405b (Teaching C Bld., CUHK(SZ))
+86-755-23519751
wangyaxin AT cuhk.edu.cn
Professional Website

Research interests:

 

Dr Rongrong Li (李荣荣)
2023 -
 

Office:
Phone:
Email:
Web:

405b (Teaching C Bld., CUHK(SZ))
+86-755-23519751
lirongrong AT cuhk.edu.cn
Professional Website

Research interests:
 
PhD Students
 
Ms Fanghan Chen (陈芳涵)
2024 -
 

Office:
Phone:
Email:
Web:

405b (Teaching C Bld., CUHK(SZ))
+86-755-23519751
fanghanchen AT link.cuhk.edu.cn
Professional Website

Research interests:
Mr Yulong Li (李煜龙)
2024 -
 

Office:
Phone:
Email:
Web:

405b (Teaching C Bld., CUHK(SZ))
+86-755-23519751
yulongli AT link.cuhk.edu.cn
Professional Website

Research interests:
Mr Zirui Sheng (盛子瑞)
2023 -
 

Office:
Phone:
Email:
Web:

405b (Teaching C Bld., CUHK(SZ))
+86-755-23519751
ziruisheng AT link.cuhk.edu.cn
Professional Website

Research interests:
Ms Yanbing Mo (莫颜冰)
2023 -
 

Office:
Phone:
Email:
Web:

405b (Teaching C Bld., CUHK(SZ))
+86-755-23519751
yanbingmo AT link.cuhk.edu.cn
Professional Website

Research interests:
Mr Liqi Zhou (周立祺)
2023-
 

Office:
Phone:
Email:
Web:

S504 (Meng Min Wei SciTech Bld., TU)

zlq23 AT mails.tsinghua.edu.cn
Professional Website

Research interests:
Mr Yu Xiong (熊煜)
2022 -
 
Office:
Phone:
Email:
Web:

S504 (Meng Min Wei SciTech Bld., TU)

y-xiong22 AT mails.tsinghua.edu.cn
Professional Website

Research interests:
 
Mr Xiao Chen (陈笑)
2022 -
 
Office:
Phone:
Email:
Web:

S504 (Meng Min Wei SciTech Bld., TU)

xiao-che17 AT tsinghua.edu.cn
Professional Website

Research interests:
 
Mr Wenjie Zhang (张文杰)
2021 -
 
Office:
Phone:
Email:
Web:

S504 (Meng Min Wei SciTech Bld., TU)

wenjie-z21 AT mails.tsinghua.edu.cn
Professional Website

Research interests:
 
Mr Shanhao Deng (邓山豪)
2021 -
 
Office:
Phone:
Email:
Web:

S504 (Meng Min Wei SciTech Bld., TU)

dsh21 AT mails.tsinghua.edu.cn
Professional Website

Research interests:

 
Ms Ping-An Yin (印平安)
2020 -
 
Office:
Phone:
Email:
Web:

S509 (Meng Min Wei SciTech Bld., TU)

ypa20 AT mails.tsinghua.edu.cn
Professional Website

Research interests:

  • Excited state decay in organic light-emitting materials

Mr Hengrui Yang (杨恒锐)
2019 -
 
Office:
Phone:
Email:
Web:

S504 (Meng Min Wei SciTech Bld., TU)

yhr19 AT mails.tsinghua.edu.cn
Professional Website

Research interests:

  • Many-body methods for electron-electron or electron-phonon interaction
  • Spin or charge transport in organic materials
Undergraduate Students
 

Mr. Xinyan Jiang (江信研)
2023 - 2025

Office:
Phone:
Email:
Web:

405b (Teaching C Bld., CUHK(SZ))
+86-755-23519751
121090226 AT link.cuhk.edu.cn
Professional Website

Research interests:

  • Computational chemistry

Mr. Xinwei Wang (王辛未)
2024 -

Office:
Phone:
Email:
Web:

405b (Teaching C Bld., CUHK(SZ))
+86-755-23519751
xinweiwang AT link.cuhk.edu.cn
Professional Website

Research interests:

  • Computational chemistry
Former Members
 
Mr Yixuan Wu (吴奕璇)
Former undergraduate student (2022 - 2024, Tsinghua University)
Student at Johns Hopkins University (2024 - )
 
Email:
Web:


Professional Website

Research interests:

  •  Machine learning

Mr Sen Wang (王森)
Former undergraduate student (2022 - 2024, Tsinghua University)
Student at Johns Hopkins University (2024 - )
 
Email:
Web:


Professional Website

Research interests:

Dr Yufei Ge (葛宇非)
Former Ph.D student (2019 - 2024, Tsinghua University)
Staff at Huawei (2024 - )
 

Email:
Web:

  

Research interests:

Dr Bin Zhang (张斌)
Former Postdoc (2021 - 2023, Tsinghua University)
 

Email:
Web:


Professional Website

Research interests:

  • Quantum model of plasmon;
  • Plasmon-exciton interaction and its effect on the molecular Excited State Dynamics.

 
Dr Qi Sun (孙琪)
Former Ph.D student (2018 - 2023, Tsinghua University)
Postdoc at The University of Arizona (2023 - )
 
Email:
Web:		 qqi47770 AT gmail.com
Professional Website
   

Research interests:
 

 
Dr Yuanheng Wang (王远珩)
Former Ph.D student (2018 - 2023, Tsinghua University)
Postdoc at Princeton University (2023 - )
 
Email:
Web:		 yuanhwangtheo AT gmail.com
Professional Website
   

Research interests:
 

 
Dr Tong Jiang (姜童)
Former Ph.D student (2018 - 2023, Tsinghua University)
Postdoc at Harvard University (2023 - )
 
Email:
Web:		 tj.theochem AT gmail.com
Professional Website
   

Research interests:

  • Many body methods for electron-electron or electron-phonon interaction
 

Dr Qing Li (李晴)
Former Postdoc (2020 - 2022, Tsinghua University)
 

Email:
Web:

 
Professional Website

Research interests:

  • Theoretical study and design of singlet fission chromophore
 

 
Dr Weitang Li (李维唐)
Former Ph.D student (2017 - 2022, Tsinghua University)
 
Email:
Web:		  liwt31 AT 163.com
Professional Website

Research interests:

  • Charge transport in organic materials

Dr Shiyun Lin (林诗韻)
Former Ph.D student (2017 - 2022, Tsinghua University)
 

Email:
Web:

 
Professional Website

Research interests:

  • Excited state decay in organic light-emitting materials

Dr Ran Liu (刘然)
Former Postdoc (2020 - 2022, Tsinghua University)
Faculty member at Fujian Normal University
 

Email:
Web:

liuran2022 AT fjnu.edu.cn
Professional Website

Research interests:

  • Thermoelectric properties of organic polymers;
  • Electron motion in organic photophysics and photochemistry.

Dr Jiajun Ren (任佳骏)
Former Postdoc (2019 - 2021, Tsinghua University)
Faculty Member at Beijing Normal University
 

Email:
Web:

jjren AT bnu.edu.cn
Professional Website

Research interests:

  • Many-body methods for electron-electron or electron-phonon interaction;
  • Photoelectric properties of organic materials;
  • High-performance computing in computational chemistry.

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

Email:
Web:


Professional Website

Research interests:

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

Research Associate Qikai Li (李启楷)

Office:
Email:
Web:

S504 (Meng Min Wei SciTech Bld., TU)
qkli AT tsinghua.edu.cn
Qikai Li Biosketch

Research interests:

  • Computational materials science
  • MD, MC, and ab init simulations
  • Parallel computing

Dr Qi Ou (欧琪)
Former Postdoc (2019 - 2021, Tsinghua University)
Sinopec Research Institute of Petroleum Processing Co., Ltd.
 

Email:
Web:

 ou_qi AT 163.com
Professional Website

Research interests:

  • Theoretical study on light-emitting materials;
  • Nonadiabatic methodologies;
  • Q-Chem development.

Dr Yu Wang (王寓)
Former Postdoc (2019 - 2021, Tsinghua University)

Email:
Web:

18843147053 AT 163.com
Professional Website

Research interests:

  • Excited state decay in organic light-emitting materials

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

Email:
Web:


Professional Website

Research interests:

  • 2-d layered inorganic materials
  • band structure calculation

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

Email:
Web:

wanglu16 AT tsinghua.org.cn
Professional Website

Research interests:

  • Excited state decay in organic light-emitting materials

Professor Qian Peng (彭谦)
Faculty Member at UCAS
 

Email:
Web:

qianpeng AT ucas.ac.cn
Qian Peng Biosketch

Research interests:

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

Dr Deping Hu (胡德平)
Former Postdoc (2018 - 2020, Tsinghua University)
Faculty Member at Beijing Normal University (Zhuhai)

Email:
Web:

depinghu AT bnu.edu.cn
Professional Website

Research interests:

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

M.S. Yunpeng Liu (刘云鹏)
Former Master student (2016 - 2019, Tsinghua University)
 

Email:
Web:

liuyunpengmail AT 126.com
Professional Website

Research interests:

  • Thermoelectric transport in organic materials

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

Email:
Web:

khanj10 AT tsinghua.org.cn
Professional Website

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 (孙雅静)
Former Ph.D. student (2014 - 2019, Tsinghua University)
Faculty Member at Department of Chemistry, School of Science, Tianjin University
 

Email:
Web:

syj19 AT tju.edu.cn
Professional Website

Research interests:

  • Thermal conductivity

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

Email:
Web:

rajguru97 AT gmail.com
Professional Website

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 (贺非非)
Former Postdoc (2016 - 2018, Tsinghua University)
 

Email:
Web:

hff16 AT tsinghua.org.cn
Professional Website

Research interests:

  • Design of high-performance Organic Donor-Acceptor semiconductor

Dr Wenqiang Li (李文强)
Former PhD student (2013-2018, Tsinghua University)
 

Email:
Web:

to_wenqiangli AT 163.com
Professional Website

Research interests:

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

Dr Tianqi Zhao (赵天琦)
Former PhD student (2013-2018, Tsinghua University)
Postdoc at University College London (2018-2021)
Researcher at Artificial Intelligence for Science Institute (AISI) 
 

Email:
Web:

z.hao.1 AT 163.com
Professional Website

Research interests:

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

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

Email:
Web:

thuxuzhang AT 163.com
Professional Website

Research interests:

  • Excited state decay in organic light-emitting materials

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

Email:
Web:

hgeng AT cnu.edu.cn
Professional Website

Research interests:

  • Band structure calculation
  • Charge transfer in organic materials
  • Molecular electronics

Dr Huili Ma (马会利)
Former Postdoc (2014-2017, Tsinghua University)
Faculty Member at Department of Chemistry, Nanjing Tech University
 

Email:
Web:

iamhlma AT njtech.edu.cn
Professional Website
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 (中村悠马)
Former M.Sc student (2015-2017, Tsinghua University)
 

Email:
Web:

kmgy_1239 AT yahoo.co.jp
Professional Website
Research interests:
  • Spintronics
  • Anisotropic charge transport in organic semiconductor
  • Electron-phonon coupling

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

Email:
Web:

 
Professional Website

Research interests:

  • Charge and spin transport in organic material

Dr. Wen Shi (石文)
Former PhD student (2012-2017, Tsinghua University)
Faculty Member at Sun Yat-sen University
 

Email:
Web:

shiw59 AT mail.sysu.edu.cn
Professional Website
Research interests:
  • Multiscale simulations of organic thermoelectric materials
  • Understanding the charge transport process in organic semiconductors
  • Thermal transport in organic materials

Dr Gang Zhou (周刚)
Former Postdoc (2014-2016, Tsinghua University)
Faculty Member at Guilin University of Electronic Technology
 

Email:
Web:

zhouguet AT hotmail.com
Professional Website
Research interests:
  • Thermal and thermoelectric transport properties in inorganic materials
  • Magnetic properties of low-dimensional systems

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

Email:
Web:

zhulili2009 AT 163.com
Professional Website
Research interests:
  • Photophysical properties in organic light-emitting materials
  • Theoretical methods to simulate quantum dynamics in condensed phase

Dr Zhiying Ma (马志英)
Former PhD student (2011-2016, Tsinghua University)
Faculty Member at Engineering Research Center for Nanomaterials, Henan University
 

Email:
Web:

mazy11 AT henu.edu.cn
Professional Website

Research interests:

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

Dr Tian Zhang (张天)
Former PhD student (2011-2016, Tsinghua University)
Faculty Member at School of Chemical Engineering, Shandong University of Technology
 

Email:
Web:

tzhang AT sdut.edu.cn
Professional Website

Research interests:

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

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

Email:
Web:

chenjf01 AT zts.com.cn
Professional Website

Research interests:

  • Multiscale simulation of self-assembly of supramolecule

Dr Haoyuan Li (李浩源)
Former PhD student (2010 - 2015, Tsinghua University)
Postdoc at King Abdullah University of Science and Technology (KAUST) (2015 - 2016)
Postdoc at Georgia Institute of Technoligy (2017 - 2019)
Faculty Member at Shanghai University (2020 - )

Email:
Web:

 lihaoyuan AT shu.edu.cn
Professional Website

Research interests:

 

Dr Yuqian Jiang (江昱倩)
Former PhD student (2010-2015, Tsinghua University)
Faculty Member at National Center for Nanoscience and Technology
 

Email:
Web:

jiangyq AT nanoctr.cn
Professional Website

Research interests:

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

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

Email:
Web:

happy.fandi AT 163.com
Professional Website

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

Ms Chenchen Song (宋晨辰)
Former undergraduate student (2009-2012, Tsinghua University)
Assistant Professor at UC Davis
 

Email:
Web:

ccsong AT ucdavis.edu
Professional Website

Research interests:

 

  
Dr Xing Gao (高星)
Former PhD student (2009-2014, Tsinghua University)
Postdoc at German Max Planck Institute (Germany) 2014 - 2020
Faculty Member at Sun Yat-sen University
 

Email:
Web:

gxing AT mail.sysu.edu.cn
Professional Website

Research interests:

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

Dr Jinyang Xi (奚晋扬)
Former PhD student (2009-2014, Tsinghua University)
Postdoc at Fudan University (Shanghai) 2014-2016
Faculty Member at Shanghai Univeristy
 

Email:
Web:

jinyangxi AT shu.edu.cn
Professional Website

Research interests:

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

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

Email:
Web:

xiaoyanzheng AT bit.edu.cn
Professional Website

Research interests:

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

 Dr Jianming Chen (陈健明)
Former PhD student (2007-2013, ICCAS)
Postdoc at University of Colorado at Boulder (U.S.A.) 2013-2016

Email:
Web:

loafbaker AT hotmail.com
Professional Website
 

 

 
Dr Qunyan Wu (吴群燕)
Former Postdoc (2010-2013, Tsinghua University)
Faculty Member at Inst. of High Energy Physics, Chinese Academy of Sciences (Beijing)
 

Email:
Web:

wuqy AT ihep.ac.cn
Professional Website

 

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

Email:
Web:

chinwen AT impcas.ac.cn
Professional Website

 

Dr Lili Lin (蔺丽丽)
Former Visiting Scientist (2012, Tsinghua) from Luo's group in Sweden
Faculty Member at Department of Physics, Shandong Normal University
 

Email:
Web:

linll AT sdnu.edu.cn
Professional Website

 

Dr ChunMei Deng (邓春梅)
Former PhD Student (2008-2011, ICCAS)
Staff at Chinese Chemical Society Secretariat: Academic exchange, international affairs, ...
 

Email:
Web:

cmdeng AT iccas.ac.cn
Professional Website

 

Dr Yuan Shang (尚远)
Former PhD Student (2006-2011, ICCAS)
Staff at National Supercomputing Center in Zhengzhou
 

Email:
Web:


Professional Website

 

Dr Zhongyun Ma (马忠云)
Former PhD Student (2007-2011, ICCAS)
Faculty member at Xiantang University, Xiangtan, Hunan Province
 

Email:
Web:

zhyma AT xtu.edu.cn
Professional Website

 

Dr Yingli Niu (牛英利)
Former PhD Student (2007-2010, ICCAS)
Postdoc at the National Center for Nanoscience and Technology (Beijing)
Faculty Member at Beijing Jiaotong University
 

Email:
Web:

9185 AT bjtu.edu.cn
Professional Website

 

Dr Ling Tang (唐令)
Former Postdoc (2008-2010, Tsinghua University)
Faculty Member at Zhejiang University of Technology (Hangzhou)
 

Email:
Web:

lingtang AT zjut.edu.cn
Professional Website

 

Dr Mongqiu Long (龙孟秋)
Former Postdoc (2008-2010)
Faculty Member at Central South University (Changsha)
Assistant Dean of Science
 

Email:
Web:

mqlong AT csu.edu.cn
Professional Website

 

Dr Lingyi Meng (孟令一)
Former PhD student (2004-2009, ICCAS)
Postdoc at the Hong Kong University with Prof. GuanHua Chen (2009-2013)
Faculty member at "Collaborative Innovation Center of Chemistry for Energy Materials", Xiamen University
 

Email:
Web:

lymeng AT fjirsm.ac.cn
Professional Website

 

 

 
Dr Linjun Wang (王林军)
Former PhD student (2004-2009, ICCAS)
Postdoc at University of Mons, Belgium, with Dr. David Beljonne (2009-2013)
Postdoc at University of Rochester with Prof. Oleg Prezhdo (2013-2015 )
Professor at Department of Chemistry, Zhejiang University
Young 1000-Talent Scholar
 

Email:
Web:

ljwang AT zju.edu.cn
Professional Website

 

 

 
Dr Guangjun Nan (南广军)
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) (2016-2017)
Faculty member at Zhejiang Normal University
 

Email:
Web:

gjnan AT zjnu.edu.cn
Professional Website

 

 

 
Dr Liping Chen (陈丽平)
Former PhD student (2003-2008, ICCAS)
Postdoc 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)
Faculty member at Zhejiang Normal University
 

Email:
Web:

lpchen AT zjnu.edu.cn
Professional Website

 

Dr Xiaodi Yang (杨笑迪)
Former PhD student (2003-2008, ICCAS)
Staff at Shanghai University of Traditional Chinese Medicine
 

Email:
Web:

yangxiaodi AT shutcm.edu.cn
Professional Website

 

Dr Lingyun Zhu (朱凌云)
Former PhD student (2005-2008, ICCAS)
Postdoc at Georgia Inst. of Tech. with Prof. Jean-Luc Bredas (2008-2012)
Faculty member at National Center for Nanoscience and Technology
 

Phone:
Email:
Web:

+86-10-82545701
zhuly AT nanoctr.cn
Professional Website

 

Dr Yuanping Yi (易院平)
Former PhD student (2002-2008, ICCAS)
Postdoc with Prof. Jean-Luc Bredas at Georgia Tech (2008-2012)
Professor at ICCAS
 

Phone:
Email:
Web:

+86-10-62631259
ypyi AT iccas.ac.cn
Professional Website

 

Dr Qingxu Li (李清旭)
Former PhD student (2002-2007, ICCAS)
Professor at Chongqing Univ. of Posts and Telecommunications
 

Email:
Web:

liqx AT cqupt.edu.cn
Professional Website

 

Dr Shiwei Yin (尹世伟)
Former PhD student (2002-2005)
Professor at Shanxi Normal University (Xi'an)
 

Phone:
Email:
Web:

+86-29-85308442
yin_sw AT snnu.edu.cn
Professional Website