Zhongmin Su

发表

An accurate density functional theory calculation for electronic excitation energies: the least-squares support vector machine.

Shiling Sun, Hongzhi Li, Ting Gao, 2009, The Journal of chemical physics.

Improving the Accuracy of Low Level Density Functional Theory Calculation for Absorption Energies: The Least Squares Support Vector Machine

Hai-Bin Li, Hongzhi Li, Ting Gao, 2010, 2010 International Conference on Intelligent Computation Technology and Automation.

The origin of the unusual broad and intense visible absorption of tetrathiafulvalene-annulated zinc porphyrazine: a density functional theory study.

Likai Yan, Hai-Bin Li, Shiling Sun, 2012, Journal of molecular graphics & modelling.

An effective method for accurate prediction of the first hyperpolarizability of alkalides

Hui Li, Hong-Zhi Li, Ting Gao, 2012, J. Comput. Chem..

Improving the accuracy of density-functional theory calculation: the genetic algorithm and neural network approach.

Min Zhang, Zhongmin Su, GuanHua Chen, 2007, The Journal of chemical physics.

Accurate Prediction of the Optical Absorption Energies by Neural Network Ensemble Approach

Hui Li, Yinghua Lu, Ting Gao, 2010, 2010 Fifth International Conference on Frontier of Computer Science and Technology.

Theoretical study on the electronic structures and optical properties of oxadisilole-substituted acenes

X. Pan, Z. Su, Rongshun Wang, 2008 .

Accurate Prediction of Transition Energies in Organic Molecules

Hui Li, Hong-Zhi Li, Ting Gao, 2010, 2010 Fifth International Conference on Frontier of Computer Science and Technology.

A Promising Tool to Achieve Chemical Accuracy for Density Functional Theory Calculations on Y-NO Homolysis Bond Dissociation Energies

H. Li, Ting Gao, Yinghua Lu, 2012, International journal of molecular sciences.

Improving the Accuracy of Density Functional Theory (DFT) Calculation for Homolysis Bond Dissociation Energies of Y-NO Bond: Generalized Regression Neural Network Based on Grey Relational Analysis and Principal Component Analysis

Ting Gao, Hui Li, H. Li, 2011, International journal of molecular sciences.

A machine learning correction for DFT non-covalent interactions based on the S22, S66 and X40 benchmark databases

Hui Li, Hong-Zhi Li, Yinghua Lu, 2016, Journal of Cheminformatics.

Self-Consistent Quantum Mechanics/Embedded Charge Study on Aggregation-Enhanced Delayed Fluorescence of Cu(I) Complexes: Luminescence Mechanism and Molecular Design Strategy.

Zhongmin Su, Huiying Chu, Luyi Zou, 2023, Inorganic chemistry.

A cascaded QSAR model for efficient prediction of overall power conversion efficiency of all‐organic dye‐sensitized solar cells

Hui Li, Hong-Zhi Li, Yinghua Lu, 2015, J. Comput. Chem..

Improving the accuracy of low level quantum chemical calculation for absorption energies: the genetic algorithm and neural network approach.

Hui Li, Ying-Hua Lu, Ting Gao, 2009, Physical chemistry chemical physics : PCCP.

Molecular Design of Highly Efficient Heavy-Atom-free NpImidazole Derivatives for Two-Photon Photodynamic Therapy and ClO- Detection

Song Wang, Zhongmin Su, Luyi Zou, 2023, J. Chem. Inf. Model..