24 citations · 84 across the 6 of their papers we have counts for
3 papers · 1 filter
Electronic excitations of the charged nitrogen-vacancy center in diamond obtained using time-independent variational density functional calculations
Aleksei V. Ivanov, Yorick L. A. Schmerwitz, Gianluca Levi +1
Elucidation of the mechanism for optical spin initialization of point defects in solids in the context of quantum applications requires an accurate description of the excited elect…
A general-purpose machine learning Pt interatomic potential for an accurate description of bulk, surfaces and nanoparticles
Jan Kloppenburg, Livia B. Pártay, Hannes Jónsson +1
A Gaussian approximation machine learning interatomic potential for platinum is presented. It has been trained on DFT data computed for bulk, surfaces and nanostructured platinum,…
Is the doped MoS2 basal plane an efficient hydrogen evolution catalyst? Calculations of voltage-dependent activation energy
Sander Ø. Hanslin, Hannes Jónsson, Jaakko Akola
Transition metal dichalcogenides are cheap and earth-abundant candidates for the replacement of precious metals as catalyst materials. Experimental measurements of the hydrogen evo…