235 citations · 307 across the 4 of their papers we have counts for
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physics.comp-ph2011★ 2 cited
Efficient generation of realistic model systems of amorphous silica
Matteo Farnesi Camellone, Joachim Reiner, Urs Sennhauser +1
We used classical molecular dynamics and the van Beest Kramer van Santen (BKS) potential to generate small model systems of amorphous silica. We further optimized the classically e…
cond-mat.mtrl-sci2011★ 61 cited
Ideal, Defective, and Gold--Promoted Rutile TiO2(110) Surfaces: Structures, Energies, Dynamics, and Thermodynamics from PBE+U
Matteo Farnesi Camellone, Piotr M. Kowalski, Dominik Marx
Extensive first principles calculations are carried out to investigate gold-promoted TiO2(110) surfaces in terms of structure optimizations, electronic structure analyses, ab initi…