Quantum Active Learning for Structural Determination of Doped Nanoparticles -- a Case Study of 4Al@Si${}_{11}$

Maicon Pierre Lourenço, Mosayeb Naseri, Lizandra Barrios Herrera +4

Active learning (AL) has been widely applied in chemistry and materials science. In this work we propose a quantum active learning (QAL) method for automatic structural determinati…