38 citations · 47 across the 5 of their papers we have counts for
8 papers
Norm-Aware Product Formulas for Hamiltonian Simulations
Carlos A. Piñeiro Moreno, Pascal Krause, Annika Bande
With the target of efficiently solving the quantum-mechanical Schrödinger equation on future quantum computers, first- and second-order product formulas for the time-evolution oper…
Transfer Learning for Molecular Property Predictions from Small Data Sets
Thorren Kirschbaum, Annika Bande
Machine learning has emerged as a new tool in chemistry to bypass expensive experiments or quantum-chemical calculations, for example, in high-throughput screening applications. Ho…
Time-Resolved Rubidium-Assisted Electron Capture by Barium (II) Cation
Axel Molle, Jan Philipp Drennhaus, Viktoria Noel +2
Non-local energy transfer between bound electronic states close to the ionisation threshold is employed for efficient state preparation in dilute atom systems from technological fo…
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…
Electron-correlation driven capture and release in double quantum dots
Federico M. Pont, Annika Bande, Lorenz S. Cederbaum
We recently predicted that the interatomic Coulombic electron capture (ICEC) process, a long-range electron correlation driven capture process, is achievable in gated double quantu…
Controlled energy-selected electron capture and release in double quantum dots
Federico M. Pont, Annika Bande, Lorenz S. Cederbaum
Highly accurate quantum electron dynamics calculations demonstrate that energy can be efficiently transferred between quantum dots. Specifically, in a double quantum dot an incomin…