Quantum-chemical bonding descriptors improve machine learning predictions of materials properties and enable symbolic regression to recover intuitive expressions for force constants and thermal conductivity.
Long-Range Forces in Rock-Salt-Type Tellurides and How they Mirror the Underlying Chemical Bonding
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A critical assessment of bonding descriptors for predicting materials properties
Quantum-chemical bonding descriptors improve machine learning predictions of materials properties and enable symbolic regression to recover intuitive expressions for force constants and thermal conductivity.