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Fast pbkp_redictions of liquid-phase acid-catalyzed reaction rates using molecular dynamics simulations and convolutional neural networks
ArticleAbstract: The rates of liquid-phase, acid-catalyzed reactions relevant to the upgrading of biomass into high-vPalabras claves:Autores:Chew A.K., Jiang S., Van Lehn R.C., Víctor M. Zavala, Zhang W.Fuentes:scopusSensing Gas Mixtures by Analyzing the Spatiotemporal Optical Responses of Liquid Crystals Using 3D Convolutional Neural Networks
ArticleAbstract: We report how analysis of the spatial and temporal optical responses of liquid crystal (LC) films toPalabras claves:Color Features, gas sensor, Liquid crystals, Machine learning, Spatiotemporal patternsAutores:Abbott N.L., Bao N., Jiang S., Mavrikakis M., Schauer J.J., Smith A.D., Van Lehn R.C., Víctor M. ZavalaFuentes:scopusPbkp_redicting Critical Micelle Concentrations for Surfactants Using Graph Convolutional Neural Networks
ArticleAbstract: Surfactants are amphiphilic molecules that are widely used in consumer products, industrial processePalabras claves:Autores:Jin T., Qin S., Van Lehn R.C., Víctor M. ZavalaFuentes:scopus