3 papers
cond-mat.mtrl-sci2026
Interpretable Nanoporous Materials Design with Symmetry-Aware Networks
Zhenhao Zhou, Salman Bin Kashif, Jin-Hu Dou +4
Reticular frameworks hold promise for diverse sustainable applications, yet their immense chemical space limits efficient and systematic design. While machine learning provides a c…
cond-mat.mtrl-sci2026
Unraveling Intrinsic Thermal Conductivity in Layered Conductive MOF Single Crystals
Jinkun Guo, Dongyang Wang, Zhiyi Li +8
Layered conductive metal-organic frameworks (LCMOFs) show great promise in energy and electronics due to their high electrical conductivity and tunable pore structures. They are co…
physics.chem-ph2025
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…