Christoph Kreisbeck

Closed-loop discovery platform integration is needed for artificial intelligence to make an impact in drug discovery

Alán Aspuru-Guzik, Semion K. Saikin, Christoph Kreisbeck, 2018, Expert opinion on drug discovery.

ChemOS: An orchestration software to democratize autonomous discovery

Alán Aspuru-Guzik, Christoph Kreisbeck, Loïc M Roch, 2020, PloS one.

Automatic Differentiation in Quantum Chemistry with Applications to Fully Variational Hartree–Fock

Alán Aspuru-Guzik, Christoph Kreisbeck, Roland Lindh, 2017, ACS central science.

Accelerating the discovery of materials for clean energy in the era of smart automation

Alán Aspuru-Guzik, Semion K. Saikin, Christoph J. Brabec, 2018, Nature Reviews Materials.

Machine learning for quantum dynamics: deep learning of excitation energy transfer properties† †Electronic supplementary information (ESI) available. See DOI: 10.1039/c7sc03542j

Christoph Kreisbeck, Florian Häse, Alán Aspuru-Guzik, 2017, Chemical science.

Emulation of complex open quantum systems using superconducting qubits

Alán Aspuru-Guzik, Christoph Kreisbeck, Andrew J. Kerman, 2017, Quantum Inf. Process..

Efficiency of the energy transfer in the Fenna-Matthews-Olson complex using hierarchical equations on graphics processing units

Tobias Kramer, Christoph Kreisbeck, Mirta Rodríguez, 2010 .