46 citations · 88 across the 4 of their papers we have counts for
4 papers
A differentiable machine learning small-angle X-ray scattering analysis framework for structure elucidation of lipid nanoparticles
Maria Bånkestad, Sandra Barman, Magnus Röding +11
Lipid nanoparticles (LNPs) are efficient delivery systems for negatively charged nucleic acids. Their multi-component architecture yields a core-shell structure. Small-angle X-ray…
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…
Vacancy ordering effects on the conductivity of yttria- and scandia-doped zirconia
Dario Marrocchelli, Paul A Madden, Stefan T Norberg +1
Polarizable interaction potentials, parametrized using ab initio electronic structure calculations, have been used in molecular dynamics simulations to study the conduction mechani…
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…