Materials live in a high-dimensional space whose nature is still to be understood. The development of high throughput calculations and automatic laboratories, along with base physics research, set the ground for reasonable belief in constantly increasing the quality and value of materials information databases. This work explores constructing a network from such databases and how Network Science can give insights into the materials space. Properties selection, structure featurization, similarity/distance metrics and network extraction methodologies are some of the core topics of this field. Different paths and approaches have been explored using the resultant materials networks as a compass needle to explore such complexity.

Navigating materials space: from structural and properties features to the network

SPALLAROSSA, DAVIDE
2023/2024

Abstract

Materials live in a high-dimensional space whose nature is still to be understood. The development of high throughput calculations and automatic laboratories, along with base physics research, set the ground for reasonable belief in constantly increasing the quality and value of materials information databases. This work explores constructing a network from such databases and how Network Science can give insights into the materials space. Properties selection, structure featurization, similarity/distance metrics and network extraction methodologies are some of the core topics of this field. Different paths and approaches have been explored using the resultant materials networks as a compass needle to explore such complexity.
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/20.500.14247/24248