Wei Li

Loop profile ORCID

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 32

Top Venues

Journal of chemical theory and computation

Physical chemistry chemical physics : PCCP

Accounts of chemical research

The journal of physical chemistry letters

Nanjing University

Nanjing University (PHD)

This page only lists publications with an associated author ORCID identifier.

Affiliation History

Nanjing University Jan 01 2011

China

Associate Professor :: School of Chemistry and Chemical Engineering

Michigan State University Jun 01 2010 - Dec 31 2010

United States

Research Assistant Professor :: Department of Chemistry

Michigan State University Oct 01 2007 - May 31 2010

United States

Postdoc Research Associate :: Department of Chemistry

Education History

Nanjing University Sep 01 2002 - Jul 10 2007

China

PHD :: School of Chemistry and Chemical Engnieering

Publications

Xiaochuan Ren, Jingxiang Zou, Haodong Zhang, Wei Li, Shu-Hua Li
Block-Correlated Coupled Cluster Theory with up to Four-Pair Correlation for Accurate Static Correlation of Strongly Correlated Systems. The journal of physical chemistry letters (2024)
Yang Zheng, Zhigang Ni, Yuqi Wang, Wei Li, Shu-Hua Li
Analytical Gradient Using Cluster-in-Molecule RI-MP2 Method for the Geometry Optimizations of Large Systems. Journal of chemical theory and computation 20 (9) (2024)
Yang Zheng, Zhigang Ni, Yuqi Wang, Wei Li, Shu-Hua Li
Analytical Gradient Using Cluster-in-Molecule RI-MP2 Method for the Geometry Optimizations of Large Systems. Journal of chemical theory and computation (2024)
Jie Lin, Jiale He, Qingling Huang, Yu Zhang, Wei Li, Jianqiang Hu, Guobing Zhou, Zhen Yang
Rich Sulfur Vacancies and Reduced Schottky Barrier Height Synergistically Enable Au/ZnIn 2 S 4 with Enhanced Photocatalytic CO 2 Reduction into CO. Inorganic chemistry 63 (28) (2024)
Xiaochuan Ren, Jingxiang Zou, Haodong Zhang, Wei Li, Shu-Hua Li
Block-Correlated Coupled Cluster Theory with up to Four-Pair Correlation for Accurate Static Correlation of Strongly Correlated Systems. The journal of physical chemistry letters 15 (3) (2024)
Jie Lin, Jiale He, Qingling Huang, Yu Zhang, Wei Li, Jianqiang Hu, Guobing Zhou, Zhen Yang
Rich Sulfur Vacancies and Reduced Schottky Barrier Height Synergistically Enable Au/ZnIn 2 S 4 with Enhanced Photocatalytic CO 2 Reduction into CO. Inorganic chemistry (2024)
Huijuan Yang, Rongliang Wu, Wei Li, Jin Wen
Ultrafast hydrogen production in boron/oxygen-codoped graphitic carbon nitride revealed by nonadiabatic dynamics simulations. Physical chemistry chemical physics : PCCP (2024)
Yu Wang, Zi-Yi Lv, Zi-Xuan Chen, Shuai Xing, Zhong-Zhong Huo, Xian-Fang Hong, Li Yuan, Wei Li, You-Xuan Zheng
Multiple-resonance thermally activated delayed fluorescence materials based on phosphorus central chirality for efficient circularly polarized electroluminescence. Materials horizons (2024)
Huijuan Yang, Rongliang Wu, Wei Li, Jin Wen
Ultrafast hydrogen production in boron/oxygen-codoped graphitic carbon nitride revealed by nonadiabatic dynamics simulations. Physical chemistry chemical physics : PCCP 26 (19) (2024)
Ben-Kun Hong, Tao Fang, Wei Li, Shu-Hua Li
Predicting the structures and vibrational spectra of molecular crystals containing large molecules with the generalized energy-based fragmentation approach. The Journal of chemical physics 158 (4) (2023)
Yuqi Wang, Yang Guo, Frank Neese, Edward F Valeev, Wei Li, Shu-Hua Li
Cluster-in-Molecule Approach with Explicitly Correlated Methods for Large Molecules. Journal of chemical theory and computation (2023)
Wei Li, Guoqiang Wang, Jing Ma
Deep learning for complex chemical systems. National science review 10 (12) (2023)
Wei Li, Yuqi Wang, Zhigang Ni, Shu-Hua Li
Cluster-in-Molecule Local Correlation Method for Dispersion Interactions in Large Systems and Periodic Systems. Accounts of chemical research (2023)
Qiang Zhu, Yang Ge, Wei Li, Jing Ma
Treating Polarization Effects in Charged and Polar Bio-Molecules Through Variable Electrostatic Parameters. Journal of chemical theory and computation (2023)
Wei Li, Guoqiang Wang, Jing Ma
Deep learning for complex chemical systems. National science review 10 (12) (2023)
Jiahui Du, Kang Liao, Jing Ma, Wei Li, Shu-Hua Li
Generalized Energy-Based Fragmentation Approach for the Electronic Emission Spectra of Large Systems. Journal of chemical theory and computation (2022)
Yuqi Wang, Zhigang Ni, Frank Neese, Wei Li, Yang Guo, Shu-Hua Li
Cluster-in-Molecule Method Combined with the Domain-Based Local Pair Natural Orbital Approach for Electron Correlation Calculations of Periodic Systems. Journal of chemical theory and computation 18 (11) (2022)
Kang Liao, Shiyu Dong, Zheng Cheng, Wei Li, Shu-Hua Li
Combined fragment-based machine learning force field with classical force field and its application in the NMR calculations of macromolecules in solutions. Physical chemistry chemical physics : PCCP 24 (31) (2022)
Wei Li, Hai-Bo Ma, Shu-Hua Li, Jing Ma
Computational and data driven molecular material design assisted by low scaling quantum mechanics calculations and machine learning. Chemical science 12 (45) (2021)
Kang Liao, Shirong Wang, Wei Li, Shu-Hua Li
Generalized energy-based fragmentation approach for calculations of solvation energies of large systems. Physical chemistry chemical physics : PCCP 23 (35) (2021)
Fangjia Fu, Kang Liao, Ziteng Liu, Daocheng Hong, Haitang Yang, Yuxi Tian, Wei Wei, Chun-Gen Liu, Shu-Hua Li, Jing Ma, Wei Li
Controlled Fluorescence Enhancement of DNA-Binding Dye Through Chain Length Match between Oligoguanine and TOTO. The journal of physical chemistry. B 125 (2) (2021)
Zheng Cheng, Jiahui Du, Lei Zhang, Jing Ma, Wei Li, Shu-Hua Li
Building quantum mechanics quality force fields of proteins with the generalized energy-based fragmentation approach and machine learning. Physical chemistry chemical physics : PCCP (2021)
Zhigang Ni, Yang Guo, Frank Neese, Wei Li, Shu-Hua Li
Cluster-in-Molecule Local Correlation Method with an Accurate Distant Pair Correction for Large Systems. Journal of chemical theory and computation 17 (2) (2021)
Dongbo Zhao, Xiaoling Shen, Zheng Cheng, Wei Li, Hao Dong, Shu-Hua Li
Accurate and Efficient Prediction of NMR Parameters of Condensed-Phase Systems with the Generalized Energy-Based Fragmentation Method. Journal of chemical theory and computation 16 (5) (2020)
Zheng Cheng, Dongbo Zhao, Jing Ma, Wei Li, Shu-Hua Li
An On-the-Fly Approach to Construct Generalized Energy-Based Fragmentation Machine Learning Force Fields of Complex Systems. The journal of physical chemistry. A 124 (24) (2020)
Wei Li, Hao Dong, Jing Ma, Shu-Hua Li
Structures and Spectroscopic Properties of Large Molecules and Condensed-Phase Systems Predicted by Generalized Energy-Based Fragmentation Approach. Accounts of chemical research 54 (1) (2020)
Zhigang Ni, Yuqi Wang, Wei Li, Peter Pulay, Shu-Hua Li
Analytical Energy Gradients for the Cluster-in-Molecule MP2 Method and Its Application to Geometry Optimizations of Large Systems. Journal of chemical theory and computation 15 (6) (2019)
Yuqi Wang, Zhigang Ni, Wei Li, Shu-Hua Li
Cluster-in-Molecule Local Correlation Approach for Periodic Systems. Journal of chemical theory and computation 15 (5) (2019)
Haitang Yang, Fangjia Fu, Wei Li, Wei Wei, Frank C J M van Veggel, Song-Qin Liu
Telomerase and poly(ADP-ribose) polymerase-1 activity sensing based on the high fluorescence selectivity and sensitivity of TOTO-1 towards G bases in single-stranded DNA and poly(ADP-ribose). Chemical science 10 (13) (2019)
Zhigang Ni, Wei Li, Shu-Hua Li
Fully optimized implementation of the cluster-in-molecule local correlation approach for electron correlation calculations of large systems. Journal of computational chemistry 40 (10) (2018)
Dongbo Zhao, Ruiheng Song, Wei Li, Jing Ma, Hao Dong, Shu-Hua Li
Accurate Prediction of NMR Chemical Shifts in Macromolecular and Condensed-Phase Systems with the Generalized Energy-Based Fragmentation Method. Journal of chemical theory and computation 13 (11) (2017)
Dandan Yuan, Yunzhi Li, Zhigang Ni, Peter Pulay, Wei Li, Shu-Hua Li
Benchmark Relative Energies for Large Water Clusters with the Generalized Energy-Based Fragmentation Method. Journal of chemical theory and computation 13 (6) (2017)

Wei Li.css-eqlu8i{font-size:small;padding-left:4px;}

Publication Activity (10 Years)

Top Topics

Top Venues

Wei Li