Patrick Ettenhuber

The <scp>D</scp>alton quantum chemistry program system

Kęstutis Aidas, Celestino Angeli, Keld L. Bak et al. · Wiley Interdisciplinary Reviews Computational Molecular Science · 2013 · 1.5K citations · Full text

X-ray Emission Spectroscopy Evidences a Central Carbon in the Nitrogenase Iron-Molybdenum Cofactor

Kyle M. Lancaster, Michael Roemelt, Patrick Ettenhuber et al. · Science · 2011 · 867 citations · Full text

Photorespiration, Central Light Atom, Molecular Biology +18

Linear-Scaling Coupled Cluster with Perturbative Triple Excitations: The Divide–Expand–Consolidate CCSD(T) Model

Janus J. Eriksen, Pablo Baudin, Patrick Ettenhuber et al. · Journal of Chemical Theory and Computation · 2015 · 94 citations · Full text

Efficient linear-scaling second-order Møller-Plesset perturbation theory: The divide–expand–consolidate RI-MP2 model

Pablo Baudin, Patrick Ettenhuber, Simen Reine et al. · The Journal of Chemical Physics · 2016 · 53 citations · Full text

Numerical Analysis, Engineering, Computational Chemistry +17

The divide–expand–consolidate MP2 scheme goes massively parallel

Kasper Kristensen, Thomas Kjærgaard, Ida‐Marie Høyvik et al. · Molecular Physics · 2013 · 47 citations

Divide–expand–consolidate Mp2 Scheme, Massively-parallel Computing, Molecular Dynamics +15