Artificial Intelligence for Materials Science

Chapter 1. Materials Genome Initiatives: Past, Present, and Prospect

Gang Zhang, Institute of High Performance Computing, A*STAR, 138632 Singapore. zhangg@ihpc.a-star.edu.sg

 

Chapter 2. Introduction of the Machine Learning method

Tian Wang, Hichem Snoussi

1. School of Automation Science and Electrical Engineering, Beihang University, Beijing 100083, China. Email: wangtian@buaa.edu.cn

2. Institute Charles Delaunay-LM2S FRE CNRS 2019, University of Technology of Troyes, Troyes 10030, France. Email: hichem.snouss@utt.fr

 

Chapter 3. Machine learning for high entropy alloys

Yuan Cheng, Huajian Gao

Institute of High Performance Computing, A*STAR, 138632 Singapore;

School of Mechanical and Aerospace Engineering, College of Engineering, Nanyang Technological University, 70 Nanyang Drive, Singapore 637457, Singapore. huajian.gao@ntu.edu.sg

 

Chapter 4. Machine learning for biomaterial design

Markus J. Buehler, Laboratory for Atomistic and Molecular Mechanics (LAMM), Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, 77 Massachusetts Avenue, Room 1-290, Cambridge, Massachusetts 02139, USA. Email: mbuehler@MIT.EDU

 

Chapter 5. Rapid Photovoltaic Device Characterization through AI technology

Tonio Buonassisi, MIT. Email: BUONASSISI@MIT.EDU

 

Chapter 6. Machine learning for thermal contact design

Junichiro Shiomi, The University of Tokyo, Japan. shiomi@photon.t.u tokyo.ac.jp 

 

Chapter 7. Discovery of new thermoelectric material through high-throughput calculation

Wenqing Zhang, Southern University of Science and Technology, China. zhangwq@sustc.edu.cn

 

Chapter 8. Machine learning for high heat conductive material

Eric S. Toberer, Colorado School of Mines, USA. E-mail: etoberer@mines.edu

 

Chapter 9. Machine learning assisted discovery of new 2D Materials

Huafeng Dong, Guangdong University of Technology, China. Email: hfdong@gdut.edu.cn.

 

Chapter 10. Interatomic Potentials developed through Machine Learning

Lin-Wang Wang, Lawrence Berkeley National Laboratory, Berkeley, USA. Email: lwwang@lbl.gov

 

Chapter 11. Discovery of new Compounds

Arthur Mar, Department of Chemistry, University of Alberta, Canada. E-mail: amar@ualberta.ca.

 

Chapter 12. Defect Dynamics Probed by Using Machine Learning and Experiment.

Anja Aarva, Aalto University, 02150 Espoo, Finland. E-mail: anja.aarva@aalto.fi.

 

Chapter 13. Machine-Learning Analysis to Predict electronic properties

Xi Zhu, The Chinese University of Hong Kong, E-mail: zhuxi@cuhk.edu.cn.

 

Chapter 14. Machine-Learning Analysis to Predict spin properties

Dmitry V. Krasnikov, Skolkovo Institute of Science and Technology, Russian Federation. E-mail: d.krasnikov@skoltech.ru.

 

Chapter 15. Determination of Material and Structural Parameters using Two-way Neural Network

Xu Han, School of Mechanical Engineering, Hebei University of Technology, Tianjin, 300401, China. E-mail: xhan@hebut.edu.cn