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Automated MUltiscale simulation environment

Multiscale techniques integrating detailed atomistic information on materials and reactions to predict the performance of heterogeneous catalytic full-scale reactors have been suggested but lack seamless implementation. The largest challenges in the multiscale modeling of reactors can be grouped int...

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Detalles Bibliográficos
Autores principales: Sabadell-Rendón, Albert, Kaźmierczak, Kamila, Morandi, Santiago, Euzenat, Florian, Curulla-Ferré, Daniel, López, Núria
Formato: Online Artículo Texto
Lenguaje:English
Publicado: RSC 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10694852/
http://dx.doi.org/10.1039/d3dd00163f