38 citations · 47 across the 5 of their papers we have counts for
3 papers · 1 filter
Hydration structure of diamondoids from reactive force fields
Karol Palczynski, Thorren Kirschbaum, Annika Bande +1
Diamondoids are promising materials for applications in catalysis and nanotechnology. Since many of their applications are in aqueous environments, to understand their function it…
Machine learning frontier orbital energies of nanodiamonds
Thorren Kirschbaum, Börries von Seggern, Joachim Dzubiella +2
Nanodiamonds have a wide range of applications including catalysis, sensing, tribology and biomedicine. To leverage nanodiamond design via machine learning, we introduce the new da…
A Quantum-compute Algorithm for Exact Laser-driven Electron Dynamics in Molecules
Fabian Langkabel, Annika Bande
In this work, we investigate the capability of known quantum-computing algorithms for fault-tolerant quantum computing to simulate the laser-driven electron dynamics in small molec…