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Article
Engineering, Manufacturing
Optimizing Fractional Compositions to Achieve Extraordinary Properties
Andrew R. Falkowski et al.
Summary: This approach shifts the optimization focus to the fractions of each element in a composition, using a pretrained network and a custom loss function to optimize material compositions. Fractional optimization is expected to excel in inverse design problems concerning the effects of dopants and balancing competing properties.
INTEGRATING MATERIALS AND MANUFACTURING INNOVATION (2021)
Article
Chemistry, Physical
The Earth Mover's Distance as a Metric for the Space of Inorganic Compositions
Cameron J. Hargreaves et al.
CHEMISTRY OF MATERIALS (2020)