Publications by authors named "M Eckhoff"

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Predicting the Stability of Base-mediated C─H Carboxylation Adducts Using Data Science Tools.
Maike Eckhoff, Shubham Deolka, Aleria Garcia-Roca, Lilly Meynberg, Liudmila Seidel

Angew Chem Int Ed Engl· January 2026

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Lifelong Machine Learning Potentials for Chemical Reaction Network Explorations.
Marco Eckhoff, Markus Reiher

J Chem Theory Comput· October 2025

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Accelerating discovery in natural science laboratories with AI and robotics: Perspectives and challenges.
Andrew I Cooper, Patrick Courtney, Kourosh Darvish, Moritz Eckhoff, Hatem Fakhruldeen

Sci Robot· September 2025

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Hierarchical Quantum Embedding by Machine Learning for Large Molecular Assemblies.
Moritz Bensberg, Marco Eckhoff, Raphael T Husistein, Matthew S Teynor, Valentina Sora

J Chem Theory Comput· August 2025

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Machine Learning-Enhanced Calculation of Quantum-Classical Binding Free Energies.
Moritz Bensberg, Marco Eckhoff, F Emil Thomasen, William Bro-Jørgensen, Matthew S Teynor

J Chem Theory Comput· August 2025

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