337 citations · 1.9k across the 20 of their papers we have counts for
4 papers · 1 filter
Water exchange at a hydrated platinum electrode is rare and collective
David T. Limmer, Adam P. Willard, Paul A. Madden +1
We use molecular dynamics simulations to study the exchange kinetics of water molecules at a model metal electrode surface -- exchange between water molecules in the bulk liquid an…
The electric double layer has a life of its own
Céline Merlet, David T. Limmer, Mathieu Salanne +4
Using molecular dynamics simulations with recently developed importance sampling methods, we show that the differential capacitance of a model ionic liquid based double-layer capac…
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…