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Michael Gastegger

3PUBLICATIONS

7CO-AUTHORS

Statistical mechanics in chemistryTheoretical quantum chemistry

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Publications (3)

Sort by Publication Date:

|Jul 09, 2021

Perspective on integrating machine learning into computational chemistry and materials science.

Julia Westermayr, Michael Gastegger, Kristof T Schütt

|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

|Aug 06, 2020

A deep neural network for molecular wave functions in quasi-atomic minimal basis representation.

M Gastegger, A McSloy, M Luya

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Frequent Collaborators

2 joint publications

Kristof T Schütt

2 joint publications

Reinhard J Maurer

1 joint publications

Huziel E Sauceda

1 joint publications

Stefan Chmiela

1 joint publications

Klaus-Robert Müller

1 joint publications

Alexandre Tkatchenko

1 joint publications

Julia Westermayr

Frequent Collaborators

2 joint publications

Kristof T Schütt

2 joint publications

Reinhard J Maurer

1 joint publications

Huziel E Sauceda

1 joint publications

Stefan Chmiela

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