46 citations · 88 across the 2 of their papers we have counts for
2 papers
physics.comp-ph2011★ 46 cited
A Dipole Polarizable Potential for Reduced and Doped CeO from First-Principles
Mario Burbano, Dario Marrocchelli, Bilge Yildiz +5
In this paper we present the parameterization of a new interionic potential for stoichiometric, reduced and doped CeO. We use a dipole-polarizable potential (DIPPIM) and optimi…
physics.chem-ph2009★ 42 cited
Cation composition effects on oxide conductivity in the Zr_2Y_2O_7-Y_3NbO_7 system
Dario Marrocchelli, Paul A Madden, Stefan T Norberg +1
Realistic, first-principles-based interatomic potentials have been used in molecular dynamics simulations to study the effect of cation composition on the ionic conductivity in the…