1 citations · 1 across the 4 of their papers we have counts for
4 papers
Molecular simulations of Perovskites CsXI3 (X = Pb,Sn) Using Machine-Learning Interatomic Potentials
Atefe Ebrahimi, Franco Pellegrini, Stefano De Gironcoli
Cesium based halide perovskites, such as CsPbI3 and CsSnI3, have emerged as exceptional candidates for next generation photovoltaic and optoelectronic technologies, but their pract…
Convergence of Body-Orders in Linear Atomic Cluster Expansions
Apolinario Miguel Tan, Franco Pellegrini, Stefano de Gironcoli
We study the convergence of a linear atomic cluster expansion (ACE) potential with respect to its basis functions, in terms of the effective two-body interactions of elemental Carb…
LATTE: an atomic environment descriptor based on Cartesian tensor contractions
Franco Pellegrini, Stefano de Gironcoli, Emine Küçükbenli
We propose a new descriptor for local atomic environments, to be used in combination with machine learning models for the construction of interatomic potentials. The Local Atomic T…
Neural Network Interatomic Potentials For Open Surface Nano-mechanics Applications
Amirhossein D. Naghdi, Franco Pellegrini, Emine Küçükbenli +4
Material characterization in nano-mechanical tests requires precise interatomic potentials for the computation of atomic energies and forces with near-quantum accuracy. For such pu…