Ole Schütt

The atomic simulation environment—a Python library for working with atoms

Ask Hjorth Larsen, Jens Jørgen Mortensen, Jakob Blomqvist et al. · Journal of Physics Condensed Matter · 2017 · 4.6K citations · Full text

Natural Sciences, Computer Science, Physics +14

CP2K: An electronic structure and molecular dynamics software package - Quickstep: Efficient and accurate electronic structure calculations

Thomas D. Kühne, Marcella Iannuzzi, Mauro Del Ben et al. · The Journal of Chemical Physics · 2020 · 4.1K citations · Full text

Natural Sciences, High-performance Computing, Physics +17

Materials Cloud, a platform for open computational science

Leopold Talirz, Snehal Kumbhar, Elsa Passaro et al. · Repository for Publications and Research Data (ETH Zurich) · 2020 · 355 citations · Full text

Computing, Cloud Computing, Materials Science +17

<i>Ab initio</i>lattice dynamics of diamond

P. Pavone, K. Karch, Ole Schütt et al. · Physical review. B, Condensed matter · 1993 · 326 citations

Natural Sciences, Materials Science, Physics +17

<i>Ab initio</i>calculation of structural and lattice-dynamical properties of silicon carbide

K. Karch, P. Pavone, Wolfgang Windl et al. · Physical review. B, Condensed matter · 1994 · 234 citations

Natural Sciences, Materials Science, Physics +17