Search Results for author: Michael W. Gaultois

Found 2 papers, 1 papers with code

Metrics for quantifying isotropy in high dimensional unsupervised clustering tasks in a materials context

no code implementations25 May 2023 Samantha Durdy, Michael W. Gaultois, Vladimir Gusev, Danushka Bollegala, Matthew J. Rosseinsky

Using fractional anisotropy, a common method used in medical imaging for comparison, we then expand these measures to examine the average isotropy of a set of clusters.

Clustering

Element selection for functional materials discovery by integrated machine learning of elemental contributions to properties

1 code implementation2 Feb 2022 Andrij Vasylenko, Dmytro Antypov, Vladimir Gusev, Michael W. Gaultois, Matthew S. Dyer, Matthew J. Rosseinsky

Before specific differences emerge according to the precise ratios of elements in a given crystal structure, a material can be represented by the set of its constituent chemical elements.

Band Gap

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