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cond-mat.mtrl-sci2022★ 16 cited
Similarity of materials and data-quality assessment by fingerprinting
Martin Kuban, Šimon Gabaj, Wahib Aggoune +3
Identifying similar materials, i.e., those sharing a certain property or feature, requires interoperable data of high quality. It also requires means to measure similarity. We demo…
cond-mat.mtrl-sci2022
Density-of-states similarity descriptor for unsupervised learning from materials data
Martin Kuban, Santiago Rigamonti, Markus Scheidgen +1
We develop a materials descriptor based on the electronic density of states and investigate the similarity of materials based on it. As an application example, we study the Computa…