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YE Caichao
Research Associate Professor

Brief Introduction

YE Caichao, PhD., master's supervisor, researches focus on computational materials/chemistry, machine learning (Chemcal reactions, Materials design), such as material properties, reaction performance and catalytic mechanism of OSC functional materials, new photocatalysis or electrocatalytic materials, energetic materials, two-dimensional materials.etc. YE Caichao published more than 40 papers in SCI journals such as Adv Mater, J Mater Chem A, Small, Energy Storage Mater, Chem Eng J, Fuel, J Phys Chem C, and is the peer reviewer of J Phys Chem lett, Appl Phys Lett, Cryst Growth Des, J Cryst Growth .etc. In addition, He was awarded "Peacock Plan Overseas High-Caliber Personnel in Shenzhen (2016)", "High-Level Professional in Shenzhen (2021)" and " Outstanding Doctoral Dissertation of Jiangsu Province (2016)".

Research Interests

◆Machine learning, data mining, and high-throughput computation in materials research (Chemcal reactions, Materials design)

◆Transport mechanism of organic functional materials

◆Mechanisms of electrocatalysis and photocatalysis

◆Molecular design and properties study of new 2D materials

◆Structure and properties of energetic materials

Educational Background

◆2010.09-2015.06, Nanjing University of Science and Technology, PhD, Advisor: Xuehai Ju

◆2013.09-2014.12, California Institute of Technology, Joint PhD, Advisor: William A. Goddard III

◆2006.09-2010.06, Nanjing University of Science and Technology, Bachelor

Professional Experience

◆2018.05 to now, Southern University of Science and Technology, Research Associate Professor

◆2015.06-2018.05, Kuang-Chi Institute of Advanced Technology, Research Fellow

Honors & Awards

◆Peacock Plan Overseas High-Caliber Personnel in Shenzhen (2016)

◆High-Level Professional in Shenzhen (2021)

◆Outstanding Doctoral Dissertation of Jiangsu Province (2016)

Selected Publications

[1]. Yun-Yan Wu‡, Cai-Chao Ye‡, Lei Yu‡, Yi-Fan Liu, Jiang-Feng Huang Jia-Bao Bi, Liang Xue, Jing-Wen Sun, Juan Yang, Wen-Qing Zhang, Xin Wang, Pan Xiong*, Jun-Wu Zhu*. Soft template-directed interlayer confinement synthesis of a Fe-Co dual single-atom catalyst for Zn-air batteries. Energy Storage Mater., 2022, 45, 805-813.

[2]. Liang Song, Feng-Qi Zhao, Si-Yu Xu, Xue-Hai Ju*, Cai-Chao Ye*. ReaxFF study on combustion mechanism of ethanol/nitromethane. Fuel, 2021, 303, 121221.

[3]. Yuan-Qing Mao, Hong-Liang Yang, Ye Sheng, Ji-Ping Wang, Runhai Ouyang, Cai-Chao Ye*, Jiong Yang*, Wen-Qing Zhang. Prediction and Classification of Formation Energy for Binary Compounds by Machine Learning: An Approach Without Crystal Structure Information. ACS Omega, 2021, 6, 22, 14533-14541. (Cover Paper)

[4]. Cai-Chao Ye*, Qi An, Wen-Qing Zhang, William A. Goddard III*. Initial Decomposition of HMX Energetic Material from Quantum Molecular Dynamics and the Molecular Structure Transition of β- to δ-HMX. J. Phys. Chem. C, 2019, 123, 9231−9236.

[5]. Cai-Chao Ye, Qi An, William A. Goddard III*, Tao Cheng, Wei-Guang Liu, Sergey Zybin, Xue-Hai Ju. Initial Decomposition Reactions of Di-tetrazine-tetroxide (DTTO) from Quantum Molecular Dynamics: Implications for a Promising Energetic Material. J. Mater. Chem. A, 2015, 3, 1972–1978. (Cover Paper) 

Research ID: D-2739-2011