A. Y. Lozovoi

<i>Ab initio</i> simulation of charged slabs at constant chemical potential

A. Y. Lozovoi, Ali Alavi, Jorge Kohanoff et al. · The Journal of Chemical Physics · 2001 · 241 citations

Total Energy, Engineering, Computational Chemistry +16

First-principles-aided design of a new Ni-base superalloy: Influence of transition metal alloying elements on grain boundary and bulk cohesion

Vsevolod I. Razumovskiy, A. Y. Lozovoi, I. M. Razumovskiǐ · Acta Materialia · 2014 · 179 citations

Materials Science, Materials Engineering, Engineering +9

Structural and chemical embrittlement of grain boundaries by impurities: A general theory and first-principles calculations for copper

A. Y. Lozovoi, A. T. Paxton, Michael W. Finnis · Physical Review B · 2006 · 154 citations · Full text

Chemical Embrittlement, First-principles Calculations, Engineering +23

Reconstruction of charged surfaces: General trends and a case study of Pt(110) and Au(110)

A. Y. Lozovoi, Ali Alavi · Physical review. B, Condensed matter · 2003 · 150 citations

Materials Science, Surface Characterization, Missing-row Reconstructions +15

THE OXIDATION OF NIAL: What Can We Learn from Ab Initio Calculations?

Michael W. Finnis, A. Y. Lozovoi, Ali Alavi · Annual Review of Materials Research · 2005 · 144 citations

Materials Science, Engineering, Physics +15