讲座预告 | 法国国家科学研究中心Romain Gautier教授：Machine Learning Assisted Design of Low-Dimensional Hybrid Lead Halides with Perovskite Type Structures and Specific Photoluminescence Properties
报告题目：Machine Learning Assisted Design of Low-Dimensional Hybrid Lead Halides with Perovskite Type Structures and Specific Photoluminescence Properties
报 告 人：Romain Gautier教授（法国国家科学研究中心）
邀 请 人：夏志国 教授
报告时间：2026年7月20日（周一）上午10:00-12:00
报告地点：科技园1号楼W301中心会议室
报告摘要：
The discovery of new materials with specific properties is a complex task due to the drastic effects that very slight modifications on the synthesis of materials can have on the crystal structures and the resulting properties. Machine learning can be a very useful tool in such situations and can drastically accelerate the discovery of new functional materials as well as assist us to rationalize complex mechanisms.
In this presentation, the accelerated discovery of new hybrid lead halides by machine learning will be presented. These materials have recently shown a great potential in optoelectronic applications. For this reason, many research groups are currently exploring this chemical system to discover new low dimensional hybrid lead halides of perovskite types. However, discovering such materials is challenging as the necessary structure determination by X-ray diffraction is time consuming and non-perovskite compounds are very often synthesized. In this presentation, three approaches will be introduced which guided us towards the synthesis of new hybrid lead halides of specific properties or structures: (i) the use of active learning to target white phosphors with specific correlated color temperatures and optimal color rendering index for solid-state lighting, (ii) the use of deep learning to automatically identify hybrid perovskites from powder X-ray diffraction patterns, and (iii) the use of molecular descriptors to identify organic amines with high probability to lead to the synthesis of hybrid perovskites.
报告人简介：
Dr. Romain Gautier is a research scientist at the Centre National de la Recherche Scientifique (CNRS) in the Institut des Matériaux de Nantes Jean Rouxel. He obtained his Ph.D. degree from the Ecole Nationale Supérieure de Chimie de Rennes in inorganic and materials chemistry in 2010. He is the recipient of the CNRS Bronze medal . His current research interests include the design, synthesis, and characterization of new inorganic and hybrid materials with optical properties. He has also been utilizing machine learning techniques to accelerate the discovery of new materials with specific structures and properties. He published in journals such as Nature Chemistry, Nature Materials, JACS, Angewandte Chemie and Advanced Materials.
Romain Gautier博士是法国国家科学研究中心（CNRS）南特让·鲁塞尔材料研究所的研究科学家。他于2010年在雷恩国家高等化学学院获得无机与材料化学博士学位。他曾获法国国家科学研究中心铜质奖章。他目前的研究兴趣包括具有光学性质的新无机材料和混合材料的设计、合成与表征。他还利用机器学习技术加速具有特定结构和性质的新材料的发现。他曾在Nature Chemistry, Nature Materials, JACS, Angewandte Chemie and Advanced Materials等期刊上发表多篇论文。
