Thomas D. Kühne

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 · 3.7K citations · Full text

Efficient and Accurate Car-Parrinello-like Approach to Born-Oppenheimer Molecular Dynamics

Thomas D. Kühne, Matthias Krack, Fawzi Mohamed et al. · Physical Review Letters · 2007 · 437 citations · Full text

High Accuracy, Engineering, Physics +15

Coexistence of tetrahedral- and octahedral-like sites in amorphous phase change materials

S. Caravati, Marco Bernasconi, Thomas D. Kühne et al. · Applied Physics Letters · 2007 · 395 citations · Full text

Optical Materials, Engineering, Solid-state Chemistry +16

Proton transfer through the water gossamer

Ali Hassanali, Federico Giberti, Jérôme Cuny et al. · Proceedings of the National Academy of Sciences · 2013 · 378 citations · Full text

Engineering, Nuclear Physics, Physics +14

A High-Rate Two-Dimensional Polyarylimide Covalent Organic Framework Anode for Aqueous Zn-Ion Energy Storage Devices

Minghao Yu, Naisa Chandrasekhar, Ramya Kormath Madam Raghupathy et al. · Journal of the American Chemical Society · 2020 · 378 citations