Christoph Kreisbeck
Christoph Kreisbeck
Chief Executive Officer
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Accelerating the discovery of materials for clean energy in the era of smart automation
DP Tabor, LM Roch, SK Saikin, C Kreisbeck, D Sheberla, JH Montoya, ...
Nature reviews materials 3 (5), 5-20, 2018
Phoenics: a Bayesian optimizer for chemistry
F Hase, LM Roch, C Kreisbeck, A Aspuru-Guzik
ACS central science 4 (9), 1134-1145, 2018
Long-lived electronic coherence in dissipative exciton-dynamics of light-harvesting complexes
C Kreisbeck, T Kramer
J. Phys. Chem. Lett., 2012, 3 (19), pp 2828–2833, 2012
High-performance solution of hierarchical equations of motions for studying energy-transfer in light-harvesting complexes
C Kreisbeck, T Kramer, M Rodriguez, B Hein
J. Chem. Theory Comput., 2011, 7 (7), pp 2166–2174, 2011
ChemOS: orchestrating autonomous experimentation
LM Roch, F Häse, C Kreisbeck, T Tamayo-Mendoza, LPE Yunker, ...
Science Robotics 3 (19), eaat5559, 2018
Modelling of oscillations in two-dimensional echo-spectra of the Fenna–Matthews–Olson complex
B Hein, C Kreisbeck, T Kramer, M Rodríguez
New Journal of Physics 14 (2), 023018, 2012
ChemOS: An orchestration software to democratize autonomous discovery
LM Roch, F Häse, A Aspuru-Guzik
Scalable high-performance algorithm for the simulation of exciton dynamics. Application to the light-harvesting complex II in the presence of resonant vibrational modes
C Kreisbeck, T Kramer, A Aspuru-Guzik
J. Chem. Theory Comput., 2014, 10 (9), pp 4045–4054, 2014
Materials Acceleration Platform: Accelerating Advanced Energy Materials Discovery by Integrating High-Throughput Methods with Artificial Intelligence.
AG Alán, P Kristin, AK Alfredo, A Carlos, SI Diego, A Matt, M Anna, ..., 2018
Autonomous molecular design: then and now
T Dimitrov, C Kreisbeck, JS Becker, A Aspuru-Guzik, SK Saikin
ACS applied materials & interfaces 11 (28), 24825-24836, 2019
Automatic differentiation in quantum chemistry with an application to fully variational Hartree-Fock
T Tamayo-Mendoza, C Kreisbeck, R Lindh, A Aspuru-Guzik
arXiv preprint arXiv:1711.08127, 2017
Machine learning for quantum dynamics: deep learning of excitation energy transfer properties
F Häse, C Kreisbeck, A Aspuru-Guzik
Chemical science 8 (12), 8419-8426, 2017
Local protein solvation drives direct down-conversion in phycobiliprotein PC645 via incoherent vibronic transport
SM Blau, DIG Bennett, C Kreisbeck, GD Scholes, A Aspuru-Guzik
Proceedings of the National Academy of Sciences 115 (15), E3342-E3350, 2018
Disentangling electronic and vibronic coherences in two-dimensional echo spectra
C Kreisbeck, T Kramer, A Aspuru-Guzik
J. Phys. Chem. B, 2013, 117 (32), pp 9380–9385, 2013
Closed-loop discovery platform integration is needed for artificial intelligence to make an impact in drug discovery
SK Saikin, C Kreisbeck, D Sheberla, JS Becker, A Aspuru-Guzik
Expert opinion on drug discovery 14 (1), 1-4, 2019
Efficiency of energy funneling in the photosystem II supercomplex of higher plants
C Kreisbeck, A Aspuru-Guzik
Chemical Science 7 (7), 4174-4183, 2016
Mechanistic regimes of vibronic transport in a heterodimer and the design principle of incoherent vibronic transport in phycobiliproteins
DIG Bennett, P Maly, C Kreisbeck, R Van Grondelle, A Aspuru-Guzik
The journal of physical chemistry letters 9 (10), 2665-2670, 2018
Emulation of complex open quantum systems using superconducting qubits
S Mostame, J Huh, C Kreisbeck, AJ Kerman, T Fujita, A Eisfeld, ...
Quantum Information Processing 16, 1-16, 2017
Wave packet approach to transport in mesoscopic systems
T Kramer, C Kreisbeck, V Krueckl
Physica Scripta 82 (3), 038101, 2010
On the long-range exciton transport in molecular systems: The application to H-aggregated heterotriangulene chains
SK Saikin, MA Shakirov, C Kreisbeck, U Peskin, YN Proshin, ...
The Journal of Physical Chemistry C 121 (45), 24994-25002, 2017
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