Deep generative design of porous organic cages <i>via</i> a variational autoencoder
Jiajun Zhou, Austin M. Mroz, Kim E. Jelfs
Abstract
Porous organic cages (POCs) are a class of porous molecular materials characterised by their tunable, intrinsic porosity; this functional property makes them candidates for applications including guest storage and separation.
Topics & Concepts
AutoencoderPorosityPorous mediumMaterials scienceProperty (philosophy)Class (philosophy)Chemical engineeringNanotechnologyComputer scienceDeep learningArtificial intelligenceComposite materialEngineeringEpistemologyPhilosophyMachine Learning in Materials ScienceSupramolecular Chemistry and ComplexesMetal-Organic Frameworks: Synthesis and Applications