Mostrando 2 resultados de: 2
Subtipo de publicación
Article(2)
Área de conocimiento
Simulación por computadora(2)
Aprendizaje automático(1)
Catálisis(1)
Optimización matemática(1)
Química teórica(1)
Origen
scopus(2)
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:scopusTopological Analysis of Molecular Dynamics Simulations using the Euler Characteristic
ArticleAbstract: Molecular dynamics (MD) simulations are used in diverse scientific and engineering fields such as drPalabras claves:Autores:Chew A.K., Kelkar A.S., Maheshwari U., Runde S., Smith A.D., Van Lehn R.C., Víctor M. ZavalaFuentes:scopus