Publications 2012

Scientific Papers of the Modelling and Simulation Group

V. M. García-Suárez and J. Ferrer. Non-equilibrium transport response from equilibrium transport theory. Physical Review B. Volume 86, 125446

A. García-Fuente, V. M. García-Suárez, J. Ferrer and A. Vega. Charge and spin transport properties of Mo2X2 (X = Fe,Co,Ni) molecular contacts. Physical Review B. Volume 85, 224433

Carrascal, D; Garcia-Suarez, VM; Ferrer, J. Impact of edge shape on the functionalities of graphene-based single-molecule electronics devices. Physical Review B. Volume 85, Issue 19 Article Number: 195434

D. J. Carrascal and J. Ferrer. Exact Kohn-Sham eigenstates versus quasiparticles in simple models of strongly correlated electrons. Physical Review B. Volume 85, 045110

Veerabhadrarao Kaliginedi, Pavel Moreno-García, Hennie Valkenier, Wenjing Hong, Víctor M. García-Suárez, Petra Buiter, Jelmer L. H. Otten, Jan C. Hummelen, Colin J. Lambert, and Thomas Wandlowski. Correlations between Molecular Structure and Single-Junction Conductance: A Case Study with Oligo(phenylene-ethynylene)-Type Wires. Journal of the American Chemical Society. Volume: 134 Issue: 11, Pages: 5262–5275 Published: 2012