29 citations · 149 across the 8 of their papers we have counts for
Showing 2016 · cond-mat.mtrl-sciShow all
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cond-mat.mtrl-sci2016★ 6 cited
DNA-stabilized Ag-Au bimetallic clusters: The effects of alloying and embedding on optical properties
Dennis Palagin, Jonathan P. K. Doye
Global geometry optimization and time-dependent density functional theory calculations have been used to study the structural evolution and optical properties of (AgAu)n (n=2-6) na…
cond-mat.mtrl-sci2016★ 14 cited
Global Structure Search for Molecules on Surfaces: Efficient Sampling with Curvilinear Coordinates
Konstantin Krautgasser, Chiara Panosetti, Dennis Palagin +2
Efficient structure search is a major challenge in computational materials science. We present a modification of the basin hopping global geometry optimization approach that uses a…