88 citations · 213 across the 5 of their papers we have counts for
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cond-mat.mtrl-sci2015★ 76 cited
Voltage equilibration for reactive atomistic simulations of electrochemical processes
Nicolas Onofrio, Alejandro Strachan
We introduce EChemDID, a model to describe electrochemical driving force in reactive molecular dynamics simulations. The method describes the equilibration of external electrochemi…
cond-mat.mtrl-sci2015★ 29 cited
Stability and Migration of Small Copper Clusters in Amorphous Dielectrics
David M. Guzman, Nicolas Onofrio, Alejandro Strachan
We use density functional theory (DFT) to study the thermodynamic stability and migration of copper ions and small clusters embedded in amorphous silicon dioxide. We perform the ca…