Dual adaptive sampling and machine learning interatomic potentials for modeling materials with chemical bond hierarchy
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DOI: 10.1103/physrevb.104.094310
Abstract: The development of reliable and flexible machine learning based interatomic potentials (ML-IPs) is becoming increasingly important in studying the physical properties of complex condensed matter systems. Besides the structure descriptor model for total energy decomposition,… read more here.
Keywords: chemical bond; machine learning; materials chemical; interatomic potentials ... See more keywords