Alexander O. Mitrushchenkov

First-principles based multiscale model of piezoelectric nanowires with surface effects

Minh Tan Hoang, Julien Yvonnet, Alexander O. Mitrushchenkov et al. · Journal of Applied Physics · 2013 · 67 citations · Full text

Engineering, Surface Piezoelectricity, Electronic Conductors +16

Finite element model of ionic nanowires with size-dependent mechanical properties determined by ab initio calculations

Julien Yvonnet, Alexander O. Mitrushchenkov, Gilberte Chambaud et al. · Computer Methods in Applied Mechanics and Engineering · 2010 · 66 citations · Full text

Materials Engineering, Materials Science, Solid-state Ionic +13

Local and density fitting approximations within the short-range/long-range hybrid scheme: application to large non-bonded complexes

Erich Goll, Thierry Leininger, Frederick R. Manby et al. · Physical Chemistry Chemical Physics · 2008 · 55 citations

Engineering, Molecular Biology, Computational Chemistry +16

Transferability and accuracy by combining dispersionless density functional and incremental post-Hartree-Fock theories: Noble gases adsorption on coronene/graphene/graphite surfaces

María Pilar de Lara‐Castells, Massimiliano Bartolomei, Alexander O. Mitrushchenkov et al. · The Journal of Chemical Physics · 2015 · 43 citations

Combining density functional and incremental post-Hartree-Fock approaches for van der Waals dominated adsorbate-surface interactions: Ag2/graphene

María Pilar de Lara‐Castells, Alexander O. Mitrushchenkov, Hermann Stoll · The Journal of Chemical Physics · 2015 · 42 citations

Combined Density Functional, Nanosheet, Engineering +24