Alexandre Tkatchenko
3PUBLICATIONS
9CO-AUTHORS
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Publications (3)
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|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
|Sep 06, 2020
Improved description of ligand polarization enhances transferability of ion-ligand interactions.Vered Wineman-Fisher, Yasmine Al-Hamdani, Péter R Nagy
|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
Klaus-Robert Müller
1 joint publications
Igor Poltavsky
1 joint publications
Vered Wineman-Fisher
1 joint publications
Yasmine Al-Hamdani
1 joint publications
Péter R Nagy
1 joint publications
Sameer Varma
1 joint publications
Michael Gastegger
