Christoph Kreisbeck

Phoenics: A Bayesian Optimizer for Chemistry

Florian Häse, Loı̈c M. Roch, Christoph Kreisbeck et al. · ACS Central Science · 2018 · 364 citations · Full text

Artificial Intelligence, Large-scale Global Optimization, Engineering +18

High-Performance Solution of Hierarchical Equations of Motion for Studying Energy Transfer in Light-Harvesting Complexes

Christoph Kreisbeck, Tobias Kramer, Mirta Rodrı́guez et al. · Journal of Chemical Theory and Computation · 2011 · 178 citations · Full text

Engineering, Memory Effects, Energy Efficiency +22

ChemOS: An orchestration software to democratize autonomous discovery

Loı̈c M. Roch, Florian Häse, Christoph Kreisbeck et al. · PLoS ONE · 2020 · 137 citations · Full text

Artificial Intelligence, Engineering, Autonomous Discovery +21

Scalable High-Performance Algorithm for the Simulation of Exciton Dynamics. Application to the Light-Harvesting Complex II in the Presence of Resonant Vibrational Modes

Christoph Kreisbeck, Tobias Kramer, Alán Aspuru-Guzik · Journal of Chemical Theory and Computation · 2014 · 116 citations · Full text

Engineering, Excitation Energy Transfer, Computational Complexity +24

Autonomous Molecular Design: Then and Now

Tanja Dimitrov, Christoph Kreisbeck, Jill Becker et al. · ACS Applied Materials & Interfaces · 2019 · 105 citations

Deep Machine Learning, Machine Learning, Engineering +16