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