337 citations · 1.9k across the 20 of their papers we have counts for
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Effect of dispersion interactions on the properties of LiF in condensed phases
Dario Corradini, Dario Marrocchelli, Paul A. Madden +1
Classical molecular dynamics simulations are performed on LiF in the framework of the polarizable ion model. The overlap-repulsion and polarization terms of the interaction potenti…
Relationships Between Atomic Diffusion Mechanisms and Ensemble Transport Coefficients in Crystalline Polymorphs
Benjamin J. Morgan, Paul A. Madden
Ionic transport in conventional ionic solids is generally considered to proceed via independent diffusion events or "hops''. This assumption leads to well-known Arrhenius expressio…
Molecular Dynamics Simulation of Coherent Interfaces in Fluorite Heterostructures
Benjamin J. Morgan, Paul A. Madden
The standard model of enhanced ionic conductivities in solid electrolyte heterostructures follows from a continuum mean-field description of defect distributions that makes no refe…