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Multiobjective Optimization for Targeted Self-Assembly among Competing Polymorphs

Most approaches for designing self-assembled materials focus on the thermodynamic stability of a target structure or crystal polymorph. Yet in practice, the outcome of a self-assembly process is often controlled by kinetic pathways. Here we present an efficient machine-learning-guided design algorit...

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Autori principali: Sambarta Chatterjee, William M. Jacobs
Natura: Artigo
Lingua:Inglês
Pubblicazione: American Physical Society 2025-03-01
Serie:Physical Review X
Accesso online:http://doi.org/10.1103/PhysRevX.15.011075
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