Research Assistant Professor Academy for Advanced Interdisciplinary Studies   Research Group

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. Hosted or participated in several projects, including the national natural science foundation of China, the pre-research project of the ministry of equipment development of the CMC, and the key research and development project of Guangdong province, etc.. YE Caichao published more than 40 papers in SCI journals such as Adv Mater, J Mater Chem A, Small, Nano Energy, 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)".

Personal Profile

Education:

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

 

Work:

2018.05 to now,          Southern University of Science and Technology of China,   Research Assistant Professor

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

Research

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


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YE Caichao‘s researches focus on energetic materials, the structure and properties of new two-dimensional materials, and machine learning. For machine learning, Dr Ye base on high-throughput screening platform, using machine learning, chemical informatics and computational chemistry methods in asymmetric hydrogenation catalysis of ketones, and provided accurate predictive models for the yield and enantioselectivity prediction. It can also shed light on the reaction mechanism., and this approach was applied in the prediction of the outcomes in a late-stage modification of Ezetimibe. For two-dimensional materials, Dr. Ye is mainly engaged in the theoretical research on the structure and properties and applications in solar cell, SERS of C3N : a new two-dimensional materials, revealing the semiconductor band gap of C3N and the size effect of quantum dots from the micro level. C3N becomes a new member of the family of carbon-based two-dimensional materials. For energetic materials, Dr Ye using DFT method to study material structure and properties, and use QMMD method to explore the initial reaction mechanism of energetic materials, put forward that the similarities and differences between the crystal structure of energetic materials will directly change the initial reaction mechanism, which affect the sensitivity and heat releasing of energetic materials. This work also provides new ideas and guidance for the design of new energetic materials.

Dr Ye also hosted or participated in several projects, including the national natural science foundation of China, the pre-research project of the ministry of equipment development of the CMC, and the key research and development project of Guangdong province, etc.. YE Caichao published more than 40 papers in SCI journals such as Adv Mater, J Mater Chem A, Small, Nano Energy, Energy Storage Mater, Chem Eng J, Fuel, J Phys Chem C, The research on the initial reaction mechanism of DTTO was selected as the cover article of RCS Journal of Materials Chemistry A. The C3N two-dimensional preparation and properties of new Materials and applications in solar cell research works also was selected as Wiley’s TOP journals Advanced Materials and Small covers. And the exploration of the application of machine learning methods to the formation energy prediction and classification of binary compounds without crystal structure information was also selected as the cover paper of ACS Omega.

News More

  • Nano Energy 一石二鸟:碘双位点掺杂高效提升钙钛矿氧化物析氧活性

    2022-05-31
  • Energy & Environmental Materials:合作团队在生物传感器构建及其物理机制研究方面发表重要成果

    2022-04-17
  • Small: N原子有序掺杂碳点(C3N 量子点)操纵薄膜结晶动力学实现较高性能二维 CsPbI3太阳能电池的制备

    2022-03-25

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Contact Address

Room 401, Building 1, Huiyuan, South University of Science and Technology, 1088 Xueyuan Avenue, Nanshan District, Shenzhen, Guangdong, China

Office Phone

Email

yecc@sustech.edu.cn

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