Supercomputing Systems (Switzerland)

Kilometer-Scale Climate Models: Prospects and Challenges

Christoph Schär, Oliver Fuhrer, Andrea Arteaga et al. · Bulletin of the American Meteorological Society · 2019 · 362 citations · Full text

Natural Sciences, Earth Sciences, High-performance Computing +15

Binding energies, molecular structures, and vibrational frequencies of transition metal carbonyls using density functional theory with gradient corrections

B. Delley, Michael Wrinn, Hans Peter Lüthi · The Journal of Chemical Physics · 1994 · 245 citations · Full text

Natural Sciences, Chemistry, Computational Chemistry +14

Electronic structure optimization in plane-wave-based density functional calculations by direct inversion in the iterative subspace

Jürg Hutter, Hans Peter Lüthi, Michele Parrinello · Computational Materials Science · 1994 · 153 citations

Natural Sciences, Chemistry, Computational Chemistry +15

Uncertainty partition challenges the predictability of vital details of climate change

Simone Fatichi, V. Y. Ivanov, Athanasios Paschalis et al. · Earth s Future · 2016 · 125 citations · Full text

Natural Sciences, Earth Sciences, Meteorology +17

GNINA 1.3: the next increment in molecular docking with deep learning

Andrew T. McNutt, Yanjing Li, Rocco Meli et al. · Journal of Cheminformatics · 2025 · 105 citations · Full text

Pharmacy, Bioinformatics, Medicinal Chemistry +15