Physically Interpretable Descriptors Drive the Materials Design of Metal Hydrides for Hydrogen Storage

Dr. Kangming Li is an Assistant Professor in the Materials Science Enigneering and Applied Physics department at KAUST. After earning his doctorate in physics at Paris-Saclay University, Kangming worked at the University of Toronto, first as a postdoctoral fellow in the Department of Materials Science and Engineering and then as an independent staff scientist in the inorganic self-driving lab in the Acceleration Consortium. His research sits at the nexus of AI, materials modeling, and experiments. His research group at KAUST develops and deploys machine-learning methods, AI-driven workflows, and large-scale data to accelerate computational and experimental materials design, discovery, and optimization.

Dr. Yuanzheng Chen is a Distinguished Research Fellow and Doctoral Supervisor at the School of Physical Science and Technology, Southwest Jiaotong University. He earned his Ph.D. from Jilin University and subsequently conducted postdoctoral research at the Beijing Computational Science Research Center and the National University of Singapore. His primary research focuses on data-driven material structure design and new energy materials. He has achieved a series of innovative results in areas such as material properties under extreme high-temperature or high-pressure conditions, catalytic properties under non-adiabatic conditions, and AI-driven molten catalyst design. He has published over 60 papers in internationally renowned academic journals including Nat. Comm., Angew. Chem. Int. Ed., ACS Nano, Adv. Sci., ACS Catal., et al. He also serves as a Youth Editorial Board Member for journals such as AI & Materials and AI Agent.

Dr. Seonghoon Jang is currently a Specially-Appointed Assistant Professor at the Advanced Institute for Materials Research (WPI-AIMR), Tohoku University, Japan (2025.04-present). He received his Ph.D. degree in Applied Physics from the University of Tokyo, Japan (2017.9-2020.9). He has a research background in materials informatics for strongly-correlated systems, quantum spin frustration, energy materials, and method developments. Dr. Seonghoon Jang has published 23 peer-reviewed articles and provides review services for journals such as ACS Applied Energy Materials and Communications Materials.