220 citations · 911 across the 19 of their papers we have counts for
6 papers · 1 filter
Automatic differentiation in quantum chemistry with an application to fully variational Hartree-Fock
Teresa Tamayo-Mendoza, Christoph Kreisbeck, Roland Lindh +1
Automatic Differentiation (AD) is a powerful tool that allows calculating derivatives of implemented algorithms with respect to all of their parameters up to machine precision, wit…
On the Long-Range Exciton Transport in H-Aggregated Heterotriangulene Chains
Semion K. Saikin, Mars A. Shakirov, Christoph Kreisbeck +3
Self-assembled aggregates of pigment molecules are potential building blocks for excitonic circuits that find their application in energy conversion and optical signal processing.…
Machine Learning for Quantum Dynamics: Deep Learning of Excitation Energy Transfer Properties
Florian Häse, Christoph Kreisbeck, Alán Aspuru-Guzik
Understanding the relationship between the structure of light-harvesting systems and their excitation energy transfer properties is of fundamental importance in many applications i…
Absence of selection for quantum coherence in the Fenna-Matthews-Olson complex: a combined evolutionary and excitonic study
Stéphanie Valleau, Romain A. Studer, Florian Häse +5
We present a study on the evolution of the Fenna-Matthews-Olson bacterial photosynthetic pigment-protein complex. This protein complex functions as an antenna. It transports absorb…
Local protein solvation drives direct down-conversion in phycobiliprotein PC645 via incoherent vibronic transport
Samuel M. Blau, Doran I. G. Bennett, Christoph Kreisbeck +2
Mechanisms controlling excitation energy transport (EET) in light-harvesting complexes remain controversial. Following the observation of long-lived beats in two-dimensional electr…
Time-dependent wave packet simulations of transport through Aharanov-Bohm rings with an embedded quantum dot
Christoph Kreisbeck, Tobias Kramer, Rafael A. Molina
We have performed time-dependent wave packet simulations of realistic Aharonov-Bohm (AB) devices with a quantum dot embedded in one of the arms of the interferometer. The AB ring c…