Paul Saxe

Symmetry-general least-squares extraction of elastic data for strained materials from<i>ab initio</i>calculations of stress

Y. Le Page, Paul Saxe · Physical review. B, Condensed matter · 2002 · 1.3K citations

Natural Sciences, Materials Engineering, Materials Science +15

Symmetry-general least-squares extraction of elastic coefficients from<i>ab initio</i>total energy calculations

Y. Le Page, Paul Saxe · Physical review. B, Condensed matter · 2001 · 291 citations

Natural Sciences, Materials Engineering, Materials Science +17

Temperature-dependent diffusion coefficients from<i>ab initio</i>computations: Hydrogen, deuterium, and tritium in nickel

E. Wimmer, W. Wolf, Jürgen Sticht et al. · Physical Review B · 2008 · 224 citations

Natural Sciences, Chemistry, Materials Science +17

<i>Ab Initio</i>thermodynamic and elastic properties of alkaline-earth metals and their hydrides

Louis G. Hector, J. F. Herbst, W. Wolf et al. · Physical Review B · 2007 · 113 citations

Natural Sciences, Materials Science, Physics +17

Perspective: Computational chemistry software and its advancement as illustrated through three grand challenge cases for molecular science

Anna I. Krylov, Theresa L. Windus, Taylor Barnes et al. · The Journal of Chemical Physics · 2018 · 105 citations · Full text

Natural Sciences, Chemistry, Computational Biology +7