报告人：侯廷政教授 清华大学
报告题目：人工智能驱动的固态电池材料设计研究
报告时间：2025年 8月13日上午9：00
报告地点：912-0127会议室
报告摘要：
Developing advanced solid-state electrolyte materials is essential for the practical implementation of solid-state lithium-metal batteries with high energy density and enhanced safety. Traditional inorganic and polymer-based solid-state electrolytes face critical challenges such as poor interfacial compatibility, limited electrochemical stability, and low ionic conductivity. Thus, studying ion transport mechanisms in multi-phase systems and across material interfaces is crucial for the rational design of practical electrolytes. Due to the difficulty and high cost of experimental in situ characterization, we use AI and data-driven methods to systematically study ion transport and screen materials. We have revealed a "solvent-assisted hopping" mechanism in organic–inorganic hybrids, proposed strategies to modulate local unsaturated metal sites, and developed methods to efficiently identify low-energy solid-state interfacial structures. We have established a leading electrochemical stability database for solid-state electrolytes and applied AI techniques for accurate property prediction. Additionally, we proposed an SROS algorithm to address modeling challenges in disordered rock-salt materials, enabling high-precision studies of high-entropy and disordered structures.
个人简介 ：
Hou Tingzheng is an Assistant Professor, Special Researcher, and PhD Supervisor at Tsinghua University Shenzhen International Graduate School. His research focuses on theoretical mechanisms of energy materials, high-throughput computing, and cross-disciplinary applications of AI. He has published 48 papers, including 20 as (co-)corresponding or first author in journals like Chem. Rev., Nat. Commun., and Adv. Mater., which have collectively received over 8,300 citations, including 12 ESI Highly Cited Papers, with an h-index of 24. He has won awards including the 2019 MOE Natural Science First Class Award. He currently leads projects funded by the NSFC, Guangdong and Shenzhen NSF. He serves as a member of the Youth Editorial Board for journals like Energy Mater. Devices and reviewer for journals such as Nature Communications. He is a core developer of the US Materials Project, contributing over 80,000 lines of code.