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Hartmut Maennel

3PUBLICATIONS

11CO-AUTHORS

Theoretical quantum chemistryStatistical mechanics, physical combinatorics and mathematical aspects of condensed matterStatistical mechanics in chemistry

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Publications (3)

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|Mar 08, 2025

The QCML dataset, Quantum chemistry reference data from 33.5M DFT and 14.7B semi-empirical calculations.

Stefan Ganscha, Oliver T Unke, Daniel Ahlin

|Dec 13, 2024

Complete and Efficient Covariants for Three-Dimensional Point Configurations with Application to Learning Molecular Quantum Properties.

Hartmut Maennel, Oliver T Unke, Klaus-Robert Müller

|Apr 05, 2024

Biomolecular dynamics with machine-learned quantum-mechanical force fields trained on diverse chemical fragments.

Oliver T Unke, Martin Stöhr, Stefan Ganscha

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Frequent Collaborators

3 joint publications

Oliver T Unke

3 joint publications

Klaus-Robert Müller

2 joint publications

Stefan Ganscha

2 joint publications

Sergii Kashubin

2 joint publications

Daniel Ahlin

1 joint publications

Martin Stöhr

1 joint publications

Thomas Unterthiner

1 joint publications

Michael Gastegger

1 joint publications

Leonardo Medrano Sandonas

1 joint publications

Joshua T Berryman

Frequent Collaborators

3 joint publications

Oliver T Unke

3 joint publications

Klaus-Robert Müller

2 joint publications

Stefan Ganscha

2 joint publications

Sergii Kashubin

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