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Alexandre Tkatchenko

3PUBLICATIONS
9CO-AUTHORS
Theoretical quantum chemistryChemical thermodynamics and energeticsComputational chemistry
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Publications (3)

Sort by Publication Date:
|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

Frequent Collaborators

2 joint publications

Huziel E Sauceda

2 joint publications

Stefan Chmiela

2 joint publications

Klaus-Robert Müller

1 joint publications

Igor Poltavsky

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