13 citations · 26 across the 8 of their papers we have counts for
Showing physics.chem-phShow all
2 papers · 1 filter
physics.chem-ph2025★ 1 cited
Building-Block Aware Generative Modeling for 3D Crystals of Metal Organic Frameworks
Chenru Duan, Aditya Nandy, Sizhan Liu +5
Metal-organic frameworks (MOFs) marry inorganic nodes, organic edges, and topological nets into programmable porous crystals, yet their astronomical design space defies brute-force…
physics.chem-ph2024★ 1 cited
Generative Design of Functional Metal Complexes Utilizing the Internal Knowledge of Large Language Models
Jieyu Lu, Zhangde Song, Qiyuan Zhao +4
Designing functional transition metal complexes (TMCs) faces challenges due to the vast search space of metals and ligands, requiring efficient optimization strategies. Traditional…