The Journal of chemical physics
Geometric features and a neural network classifier for detecting melting-like transitions in clusters.
Anirudh Krishnadas, Maryam Moshi, Ramon Alain Miranda Quintana, Rene Fournier
Published: 202610.1063/5.0291221
Abstract
Melting-like transitions in clusters are normally identified by a peak in the heat capacity curve C(T) at T = Tc. Computing C(T) requires costly simulations with millions of steps. We discuss four easily calculated functions of temperature that help…
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