Michael Gastegger

3PUBLICATIONS
7CO-AUTHORS
Statistical mechanics in chemistryTheoretical quantum chemistry
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Publications (3)

|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