Inverse design of nanoporous crystalline reticular materials with deep generative models
Zhenpeng Yao, Benjamín Sánchez-Lengeling, N. Scott Bobbitt, Benjamin J. Bucior, Sai Govind Hari Kumar, Sean P. Collins, Thomas D. Burns, Tom K. Woo, Omar K. Farha, Randall Q. Snurr, Alán Aspuru‐Guzik
Topics & Concepts
AutoencoderNanoporousComputer scienceNanotechnologyMaterials scienceArtificial intelligenceDeep learningMetal-Organic Frameworks: Synthesis and ApplicationsMachine Learning in Materials ScienceCatalysis and Oxidation Reactions