Sept. 12, 2024 - Chengbin Zhao: Topology-Free Structure Construction of Metal-Organic Frameworks

The efficient construction of hypothetical metal-organic framework (MOF) structures is essential for advancing MOF-related research under the data-driven paradigm. This seminar will introduce a new computational program that is capable of constructing new MOF structures rapidly based on existing MOF structures and organic ligand libraries, without using topology blueprints. This program not only facilitates researchers in designing new MOF structures, but also serves as an effective tool for high-throughput screening and deep-learning tasks related to MOFs.