Ganglong Cui
ganglong.cui@bnu.edu.cn
Chemistry College, Beijing Normal University, Beijing 100875, China
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ORCID: 0000-0002-9752-1659
Research areas: Theoretical methods and applications on electronically excited states and nonadiabatic processes
Michael Dolg
m.dolg@uni-koeln.de
School of Chemistry, Beijing Normal University/Department of Chemistry, University of Cologne
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ORCID: 0000-0002-0538-0837
Research areas: Relativistic quantum chemistry theoretical treatment of d- and f-transition metals
Xiao He
xiaohe@phy.ecnu.edu.cn
School of Chemistry and Molecular Engineering, East China Normal University, Shanghai, 200062, China
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ORCID: 0000-0002-4199-8175
Research areas: Theoretical and Computational Chemistry, Multiscale simulation of complex systems, Artificial intelligence for chemistry
Jun Jiang
jiangj1@ustc.edu.cn
University of Science and Technology of China
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Researcherid:P-5378-2014
Research areas: Theoretical Chemistry, AI-Chemistry, catalysis, functional material
Guohui Li
ghli@dicp.ac.cn
State Key Lab of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Sciences
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ORCID: 0000-0001-8223-705X
Research areas: 1) Methodology Development for Molecular Modeling and Simulations; 2) Mechanism Studies of Functions of Biomolecules; 3) Molecular Discovery and Design
Zhenyu Li
zyli@ustc.edu.cn
University of Science and Technology of China
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ORCID: 0000-0003-2112-9834
Research areas: quantum computational chemistry
Jian Liu
jianliupku@pku.edu.cn
Peking University
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ORCID: 0000-0002-2906-5858
Research areas: Quantum Dynamics, Nonadiabatic Dynamics, Phase Space, Path Integral, Molecular Dynamics, Reaction Rate Theory
Haibo Ma
haibo.ma@sdu.edu.cn
Shandong University
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ORCID: 0000-0001-7915-3429
Research areas: electronic structure theory, non-adiabatic dynamics
Qian Peng
qianpeng@ucas.ac.cn
University of Chinese Academy of Sciences
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ORCID: 0000-0001-8975-8413
Research areas: Theoretical and computational studies on excited state decays of complex molecular systems, and high-throughput screening and molecular design of organic optoelectronic materials
Xiuhui Zhang
zhangxiuhui@bit.edu.cn
School of Chemistry and Chemical Engineering，Beijing Institute of Technology，Beijing, China
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ORCID: 0000-0001-9570-7882
Research areas: Theoretical studies on the cluster chemistry, atmospheric chemistry, and environmental chemistry
Michele Ceotto
michele.ceotto@unimi.it
Dipartimento di Chimica, Università delgi Studi di Milano
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ORCID: 0000-0002-8270-3409
Research areas: Semiclassical Molecular Dynamics, Semiclassical Transition State Theory, Quantum Dynamics
Shi-Lu Chen
shlchen@bit.edu.cn
School of Chemistry and Chemical Engineering, Beijing Institute of Technology, Beijing 100081, China
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ORCID: 0000-0002-7187-9062
Research areas: Theoretical research on the mechanisms of enzymatic and homogeneous catalytic reactions
Lung Wa Chung
oscarchung@sustech.edu.cn
Southern University of Science and Technology
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ORCID: 0000-0001-9460-7812
Research areas: Multi-scale & machine-learning simulations of complex bio-inspired homogeneous catalysis and biocatalysis, and development of multi-scale simulation methods
Cheng-Xing Cui
chengxingcui@hist.edu.cn
Henan Institute of Science and Technology/Henan Academy of Sciences
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ORCID: 0000-0001-9632-5798
Research areas: Theoretical and Computation Chemistry
Maxim F. Gelin
maxim@hdu.edu.cn
Hangzhou Dianzi University
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ORCID: 0000-0003-3092-3343
Research areas: computational quantum dynamics and spectroscopy
Bina Fu
bina@dicp.ac.cn
State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Sciences
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ORCID: 0000-0003-1568-0259
Research areas: Full-dimensional poential energy surfaces and quantum-state resoleved dynamics for complex chemical reactions and photodissociation
Xingfa Gao
gaoxf@nanoctr.cn
Laboratory of Theoretical and Computational, Nanoscience, National Center for Nanoscience and Technology of China, Beijing 100190, China
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ORCID: 0000-0002-1636-6336
Research areas: Computational chemistry for biomedical nanomaterials; chemical mechanisms and computational design of catalytic nanomaterials for medical functions.
Fahmi Himo
fahmi.himo@su.se
Stockholm University
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ORCID: 0000-0002-1012-5611
Research areas: quantum chemistry, enzyme catalysis, homogenous catalysis, reaction mechanisms
Hanshi Hu
hshu@mail.tsinghua.edu.cn
Department of Chemistry, Tsinghua University, Beijing 100084, China
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ORCID: 0000-0001-9508-1920
Research areas: theoretical and computational chemistry of f-block elements.
Hong Jiang
jianghchem@pku.edu.cn
Peking University
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ORCID: 0000-0003-3187-2023
Research areas: Theoretical materials chemistry, in particular, the development of first-principles approaches to electronic excitations and strong correlation in materials and their applications to advanced functional materials
Zhuofeng Ke
kezhf3@mail.sysu.edu.cn
Sun Yat-sen University
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ORCID:0000-0001-9064-8051
Research areas: Physical Organic Chemistry, Reaction Mechanism, Catalysis Design.
Zhenggang Lan
zhenggang.lan@m.scnu.edu.cn
South China Normal University
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ORCID: 0000-0002-8509-0388
Research areas: Theoretical Chemistry; Nonadiabatic Dynamics; Molecular Excited States; Quantum Dynamics; Semiclassical Dynamics; Time-Resolved Spectrosopy; Machine Learning.
Ming Lei
leim@mail.buct.edu.cn
Beijing University of Chemical Technology
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ORCID: 0000-0001-5765-9664
Research areas: Computational Catalysis
Quansong Li
liquansong@bit.edu.cn
School of Chemistry and Chemical Engineering, Beijing Institute of Technology, Beijing 100081, China
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ORCID: 0000-0002-1462-5410
Research areas: computational photochemistry
Rongzhen Liao
rongzhen@hust.edu.cn
School of Chemistry and Chemical Engineering, Huazhong University of Science and Technology
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ORCID: 0000-0002-8989-6928
Research areas: Computational enzyme and homogeneous catalysis
Fengyi Liu
fengyiliu@snnu.edu.cn
Shaanxi Normal University
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ORCID: 0000-0002-9462-701X
Research areas: Excited-state Chemistry, Photodynamics, Reaction Mechanism
Run Long
runlong@bnu.edu.cn
College of Chemistry, Beijing Normal University
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ORCID: 0000-0003-3912-8899
Research areas: Theoretical and computational chemistry, nonadiabatic molecular dynamcis, excited-state dynamics in condensed phased materi
Isabelle Navizet
isabelle.navizet@univ-eiffel.fr
Univ Gustave Eiffel, Multiscale Modelling and Simulation Laboratory (MSME)
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ORCID: 0000-0002-2158-6157
Daniele Padula
daniele.padula@unisi.it
Università di Siena, Italy
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ORCID: 0000-0002-7171-7928
Research areas: charge and exciton transport in organic materials, computational electronic spectroscopy
Yong Pei
ypei2@xtu.edu.cn
Department of Chemistry, Xiangtan University
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ORCID: 0000-0003-0585-2045
Research areas: Computational Chemistry and Molecular Simulations on Electronic Structure of Metal Clusters, Molecular Dynamics of Surface and Interface, Deep-Potential (DP) Simulations, Catalytic Reaction Mechanisms
Lin Shen
lshen@bnu.edu.cn
Beijing Normal University
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ORCID: 0000-0001-6878-8963
Research areas: theoretical and computational chemistry
Qiang Shi
qshi@iccas.ac.cn
Institute of Chemistry, Chinese Academy of Sciences
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ORCID: 0000-0002-9046-2924
Research areas: Open system quantum dynamics, Charge and energy transfer, Ultrafast spectroscopy.
Luís Pinto da Silva
luis.silva@fc.up.pt
Chemistry Research Unit (CIQUP), Institute of Molecular Sciences (IMS), Department of Geosciences, Environment and Territorial Planning, Faculty of Sciences, University of Porto, Porto - Portugal.
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ORCID: 0000-0002-5647-8455.
Peifeng Su
supi@xmu.edu.cn
Xiamen University
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ORCID: 0000-0003-4398-6888
Research areas: electronic structure theory, chemical bonding theoy and intermolecular interactions
Beibei Wang
bbwang@bnu.edu.cn
Beijing Normal University
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ORCID: 0000-0003-2193-3777
Research areas: Molecular dynamics simulations, Biophysical chemistry, Computational biophysics
Binju Wang
wangbinju2018@xmu.edu.cn
Xiamen university
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ORCID:0000-0002-3353- 9411
Research areas: computational chemistry and computational biology
Linjun Wang
ljwang@zju.edu.cn
Department of Chemistry, Zhejiang University
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ORCID: 0000-0002-6169-7687
Research areas: Nonadiabatic dynamics, Mixed quantum-classical dynamics, Theoretical study of quantum dots, Machine learning
Ruibo Wu
wurb3@mail.sysu.edu.cn
School of Pharmaceutical Sciences, Sun Yat-sen University
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Researcherid: C-6642-2011
Research areas: Multiscale Simulations on Terpenoids
Fei Xia
fxia@chem.ecnu.edu.cn
School of Chemistry and Molecular Engineering, NYU-ECNU Center for Computational Chemistry at NYU Shanghai, East China Normal University, Shanghai 200062, China
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ORCID: 0000-0001-9458-9175
Yuanping Yi
ypyi@iccas.ac.cn
Institute of Chemistry Chinese Academy of Sciences
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ORCID: 0000-0002-0052-9364
Research areas: Computational Materials and Organic Optoelectronics
Yanli Zeng
yanlizeng@hebtu.edu.cn
College of Chemistry and Materials Science, Hebei Normal University, Shijiazhuang 050024, China
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ORCID: 0000-0002-7141-6172
Research areas: Noncovalent interactions and catalytic mechanisms.
Lili Zhao
ias_llzhao@njtech.edu.cn
State Key Laboratory of Materials-Oriented Chemical Engineering, School of Chemistry and Molecular Engineering, Nanjing Tech University, Nanjing 211816, China
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ORCID: 0000-0003-2580-6919
Research areas: theoretical and computational chemistry, including the study of catalytic reaction mechanism, molecular design/catalyst design, chemical bond analysis and Carbone chemistry.
Jun Zhu
jun.zhu@cuhk.edu.cn
The Chinese University of Hong Kong, Shenzhen
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ORCID: 0000-0002-2099-3156
Research areas: Organometallic Chemistry; Physical organic chemistry
