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Peer-Reviewed Publication
Mater Horiz2025;12(12):4133-4164.June 16, 2025Journal Article

From synthesis to properties: expanding the horizons of machine learning in nanomaterials research.

Shanhui Diao1,2, Qiong Wu1,2, Shimei Li1,2, Guochen Xu1,2, Xiangling Ren1,2, Longfei Tan1,2, Guihua Jiang3, Peng Song4, Xianwei Meng1,2
1State Key Laboratory of Cryogenic Science and Technology, Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, Beijing 100190, China.
2Laboratory of Controllable Preparation and Application of Nanomaterials, Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, Beijing 100190, China. wq19931110@mail.ipc.ac.cn.
3The Department of Medical Imaging, The Affiliated Guangdong Second Provincial General Hospital of Jinan University Guangzhou 518037, China. jianggh@gd2h.org.cn.
4Department of MedicaI Oncology, The Second Medical Center and NationaI cIinicaI Research Center for Geriatric Diseases, Chinese PLA General Hospital, Beijing, 100853, China.

Abstract

Nanotechnology involves the manipulation of matter at dimensions ranging from 1 to 100 nanometers. Prediction of synthesis parameters, structure, properties and applications is a cascade process in nanomaterials research, each of these stages being interconnected and having a correlative influence on one another. Traditionally, the "trial and error" approach in nanomaterial research has several li…

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