Rejuvenating digital discoveries of metal-organic frameworks: in-silico screening, fine-tuning featureization and diversity-driven machine learning
AIChE Annual Meeting · Boston, United States
conferences
Selected oral and poster presentations on digital materials discovery, machine learning, and nanoporous materials.
Unraveling guest-induced structural transition in a flexible metal-organic framework for C4 alkane/alkene separation
AIChE Annual Meeting · Boston, United States
Large language models help predict the hydrophobicity of metal-organic frameworks
AIChE Annual Meeting · Boston, United States
Construction of hypothetical metal-organic frameworks driven by reticular design
MOF 2024 · Singapore
Cross-database discovery of metal-organic frameworks with open Cu(II) sites for biogas upgrading through machine learning
AIChE Annual Meeting · San Diego, United States