Pd8 Cluster: Too Small to Melt? A BOMD Study

A Luna-Valenzuela, JN Pedroza-Montero… - The Journal of …, 2024 - ACS Publications
The question of whether a solid–liquid phase transition occurs in small clusters poses a
fundamental challenge. In this study, we attempt to elucidate this phenomenon through a …

Understanding melting behavior of aluminum clusters using machine learned deep neural network potential energy surfaces

A Kumar, BJ Nagare, R Sharma… - The Journal of Chemical …, 2024 - pubs.aip.org
Deep neural network-based deep potentials (DP), developed by Tuo et al., have been used
to compute the thermodynamic properties of free aluminum clusters with accuracy close to …