Thierry Deutsch

ABINIT: First-principles approach to material and nanosystem properties

Xavier Gonze, Bernard Amadon, P.-M. Anglade et al. · Computer Physics Communications · 2009 · 2.6K citations

Materials Science, Engineering, Material Property +6

Reproducibility in density functional theory calculations of solids

Kurt Lejaeghere, Gustav Bihlmayer, Torbjörn Björkman et al. · Science · 2016 · 1.6K citations · Full text

Molecular Solid, Engineering, Physics +13

CO Oxidation on Pt(111): An<i>Ab Initio</i>Density Functional Theory Study

Ali Alavi, P. Hu, Thierry Deutsch et al. · Physical Review Letters · 1998 · 758 citations

Materials Science, Inorganic Chemistry, Transition State +10

Daubechies wavelets as a basis set for density functional pseudopotential calculations

Luigi Genovese, Alexey Neelov, Stefan Goedecker et al. · The Journal of Chemical Physics · 2008 · 349 citations · Full text

Parallel Calculations, Engineering, Powerful Systematic Basis +16

Efficient solution of Poisson’s equation with free boundary conditions

Luigi Genovese, Thierry Deutsch, Alexey Neelov et al. · The Journal of Chemical Physics · 2006 · 214 citations · Full text

Numerical Analysis, Engineering, Free Boundary Conditions +16