Catalysis by doped oxides: CO oxidation by AuxCe1−xO2

Efficient iterative schemes for<i>ab initio</i>total-energy calculations using a plane-wave basis set

Georg Kresse, J. Furthmüller · Physical review. B, Condensed matter · 1996 · 116.1K citations

Numerical Analysis, Engineering, Computational Chemistry +17

<i>Ab initio</i>molecular dynamics for liquid metals

Georg Kresse, J. Häfner · Physical review. B, Condensed matter · 1993 · 43.6K citations

Quantum Liquid, Liquid Metals, Engineering +15

<i>Ab initio</i>molecular-dynamics simulation of the liquid-metal–amorphous-semiconductor transition in germanium

Georg Kresse, J. Häfner · Physical review. B, Condensed matter · 1994 · 22K citations

Engineering, Computational Chemistry, Chemistry +17

Band theory and Mott insulators: Hubbard<i>U</i>instead of Stoner<i>I</i>

Jan Zaanen, O. K. Andersen · Physical review. B, Condensed matter · 1991 · 7.2K citations

Engineering, Topological Materials, Electronic Structure +20

Gold catalysts prepared by coprecipitation for low-temperature oxidation of hydrogen and of carbon monoxide

M. Haruta · Journal of Catalysis · 1989 · 3.2K citations

Materials Science, Chemical Engineering, Catalytic Application +9