Marco Eckhoff

7PUBLICATIONS
35CO-AUTHORS
Computational chemistryTheoretical quantum chemistryFoundations of quantum mechanicsSemi- and unsupervised learningMetal organic frameworks
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Journal

Publications (7)

|Oct 20, 2026
runner 2.0: A software suite for high-dimensional neural network potentials.

|Apr 19, 2026
How to Use Quantum Computers for Biomolecular Free Energies.

|Aug 05, 2025
Machine Learning-Enhanced Calculation of Quantum-Classical Binding Free Energies.

Moritz Bensberg, Marco Eckhoff, F Emil Thomasen

|Jul 29, 2025
Hierarchical Quantum Embedding by Machine Learning for Large Molecular Assemblies.

Moritz Bensberg, Marco Eckhoff, Raphael T Husistein

|Jun 10, 2024
SCINE-Software for chemical interaction networks.

Thomas Weymuth, Jan P Unsleber, Paul L Türtscher

|Jun 08, 2023
Lifelong Machine Learning Potentials.

Marco Eckhoff, Markus Reiher

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Frequent Collaborators

5 joint publications

Markus Reiher

4 joint publications

Thomas Weymuth

3 joint publications

F Emil Thomasen

3 joint publications

William Bro-Jørgensen