Bayesian optimization of nanoporous materials
نویسندگان
چکیده
In Bayesian optimization, we efficiently search for an optimal material by iterating between (i) conducting experiment on a material, (ii) updating our knowledge, and (iii) selecting the next experiment.
منابع مشابه
Nanoporous materials.
The current review article attempts to cover the field of nanoporous materials, thereby materials with voids of the order of 1 nm to 100 nm or even larger. Concepts, that have an effect on a more general basis, are introduced and the common features among the different classes of nanoporous materials are demonstrated enabling understanding their formation and stability. It is seen that the most...
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Proteolysis with proteases preloaded within nanopores of porous material is a very fast process, where proteins can be digested in minutes compared to the conventional bulk enzyme reactions taking place over hours. To model this surprising phenomenon, a modified sequential proteolytic mechanism has been developed to simulate the kinetics of the reaction. Digestion of myoglobin was used as an ex...
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ژورنال
عنوان ژورنال: Molecular Systems Design and Engineering
سال: 2021
ISSN: ['2058-9689']
DOI: https://doi.org/10.1039/d1me00093d