Félix Benedito Clément Musil

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Related publications (12)

Feature optimization for atomistic machine learning yields a data-driven construction of the periodic table of the elements

Michele Ceriotti, Félix Benedito Clément Musil, Michael John Willatt

Machine-learning of atomic-scale properties amounts to extracting correlations between structure, composition and the quantity that one wants to predict. Representing the input structure in a way that best reflects such correlations makes it possible to im ...

2018

Mapping and classifying molecules from a high-throughput structural database

Michele Ceriotti, Félix Benedito Clément Musil, Sandip De, Teresa Ingram, Carsten Baldauf

High-throughput computational materials design promises to greatly accelerate the process of discovering new materials and compounds, and of optimizing their properties. The large databases of structures and properties that result from computational search ...

Biomed Central Ltd2017