220 citations · 911 across the 19 of their papers we have counts for
20 papers
Mechanistic Regimes of Vibronic Transport in a Heterodimer and the Design Principle of Incoherent Vibronic Transport in Phycobiliproteins
Doran I. G. Bennett, Pavel Maly, Christoph Kreisbeck +2
Following the observation of coherent oscillations in non-linear spectra of photosynthetic pigment protein complexes, particularly phycobilliprotein such as PC645, coherent vibroni…
PHOENICS: A universal deep Bayesian optimizer
Florian Häse, Loïc M. Roch, Christoph Kreisbeck +1
In this work we introduce PHOENICS, a probabilistic global optimization algorithm combining ideas from Bayesian optimization with concepts from Bayesian kernel density estimation.…
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…