Maximum volume simplex method for automatic selection and classification of atomic environments and environment descriptor compression

Bibliographische Detailangaben

Hauptverfasser:	Parsaeifard, Behnam, Tomerini, Daniele, De, Deb Sankar, Goedecker, Stefan
Format:	Dataset
Sprache:	eng
Schlagworte:	Atomic Environment Selection Atomic Fingerprints Classification of Atomic Environments Dimensionality Reduction Largest Volume Simplex Machine Learning Overlap Matrix Fingerprint Quantum Non-Local Effects
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