Transition state search and geometry relaxation throughout chemical compound space with quantum machine learning

Stefan Heinen
, Guido Falk von Rudorff
, O. Anatole von Lilienfeld (Corresponding author)

Computational Materials Physics

Publications: Contribution to journal › Article › Peer Reviewed

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QML: Quantum Machine Learning: Chemical Reactions with Unprecedented Speed and Accuracy
von Lilienfeld-Toal, O. A. (Project Lead)
1/10/20 → 31/03/22
Project: Research funding