Klaus-Robert Müller

2PUBLICATIONS
5CO-AUTHORS
Theoretical quantum chemistryComputational chemistry
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Publications (2)

|Oct 02, 2020
Molecular force fields with gradient-domain machine learning (GDML): Comparison and synergies with classical force fields.

Huziel E Sauceda, Michael Gastegger, Stefan Chmiela

|Mar 24, 2019
Molecular force fields with gradient-domain machine learning: Construction and application to dynamics of small molecules with coupled cluster forces.

Huziel E Sauceda, Stefan Chmiela, Igor Poltavsky

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Frequent Collaborators

2 joint publications

Huziel E Sauceda

2 joint publications

Stefan Chmiela

2 joint publications

Alexandre Tkatchenko

1 joint publications

Igor Poltavsky