Hahn, K R; Tricoli, A; Santarossa, G; Vargas, A; Baiker, A (2011). Theoretical study of the (110) surface of Sn(1) (-) (x)Ti(x)O(2) solid solutions with different distribution and content of Ti. Surface Science, 605(15-16):1476-1482.
Santarossa, G; Vargas, A; Iannuzzi, M; Baiker, A (2010). Free energy surface of two- and three-dimensional transitions of Au 12 nanoclusters obtained by ab initio metadynamics. Physical Review B, 81(17):174205.
Vargas, A; Santarossa, G; Iannuzzi, M; Baiker, A (2009). Fluxionality of gold nanoparticles investigated by Born-Oppenheimer molecular dynamics. Physical Review. B, Condensed Matter and Materials Physics, 80(19):195421.