1.9k citations · 2.2k across the 3 of their papers we have counts for
3 papers
QuantumATK: An integrated platform of electronic and atomic-scale modelling tools
Søren Smidstrup, Troels Markussen, Pieter Vancraeyveld +19
QuantumATK is an integrated set of atomic-scale modelling tools developed since 2003 by professional software engineers in collaboration with academic researchers. While different…
General atomistic approach for modeling metal-semiconductor interfaces using density functional theory and non-equilibrium Green's function
Daniele Stradi, Umberto Martinez, Anders Blom +2
Metal-semiconductor contacts are a pillar of modern semiconductor technology. Historically, their microscopic understanding has been hampered by the inability of traditional analyt…
Steps on Rutile TiO2(110): Active Sites for Water and Methanol Dissociation
Umberto Martinez, Lasse B. Vilhelmsen, Henrik H. Kristoffersen +2
We present a detailed investigation of the structure and activity of extended defects namely monoatomic steps on (1x1)-TiO2(110). Specifically, the two most stable <001> and <1-11>…