Lorena Vega

Jacob’s Ladder as Sketched by Escher: Assessing the Performance of Broadly Used Density Functionals on Transition Metal Surface Properties

Lorena Vega, Judit Ruvireta, Francesc Viñes et al. · Journal of Chemical Theory and Computation · 2017 · 80 citations

Materials Science, Engineering, Density Functionals +15

Generalized gradient approximation adjusted to transition metals properties: Key roles of exchange and local spin density

Lorena Vega, Francesc Viñes · Journal of Computational Chemistry · 2020 · 51 citations

Engineering, Material Simulation, Magnetic Resonance +25

Chemical ordering in Pt–Au, Pt–Ag and Pt–Cu nanoparticles from density functional calculations using a topological approach

Lorena Vega, Hristiyan A. Aleksandrov, Riccardo Farris et al. · Materials Advances · 2021 · 42 citations · Full text

Engineering, Nanocluster, Metal Nanoparticles +17

Irreversible structural dynamics on the surface of bimetallic PtNi alloy catalyst under alternating oxidizing and reducing environments

Ivan Khalakhan, Lorena Vega, Mykhailo Vorokhta et al. · Applied Catalysis B: Environmental · 2019 · 40 citations

Materials Science, Materials Engineering, Chemical Engineering +10

Cohesion and coordination effects on transition metal surface energies

Judit Ruvireta, Lorena Vega, Francesc Viñes · Surface Science · 2017 · 25 citations · Full text

Materials Science, Coordination Effects, Engineering +4