WATERWAVES: wave particles dynamics on a complex triatomic potential. - Simone Taioli; Jonathan Tennyson (Comput. Phys. Commun., 2006)

Understanding Anharmonic Effects on Hydrogen Desorption Characteristics of Mg$_n$H$_{2n}$ Nanoclusters by ab initio trained Deep Neural Network. - Andrea Pedrielli; Paolo E. Trevisanutto; Lorenzo Monacelli; Giovanni Garberoglio; Nicola M. Pugno; Simone Taioli (CoRR, 2021)

The Resonant and Normal Auger Spectra of Ozone. - Simone Taioli; Stefano Simonucci (Symmetry, 2021)