159 citations · 166 across the 4 of their papers we have counts for
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cond-mat.mtrl-sci2024
A method for the automatic generation of a minimal basis set of structural templates for material phase-space exploration
Caja Annweiler, Simone Di Cataldo, Maurits W. Haverkort +1
We present a novel method for predicting binary phase diagrams through the automatic construction of a minimal basis set of representative templates. The core assumption is that an…
cond-mat.mtrl-sci2021★ 4 cited
Importance of feature engineering and database selection in a machine learning model: A case study on carbon crystal structures
Franz M. Rohrhofer, Santanu Saha, Simone Di Cataldo +3
Drive towards improved performance of machine learning models has led to the creation of complex features representing a database of condensed matter systems. The complex features,…