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Matthias Rupp

5PUBLICATIONS
17CO-AUTHORS
Computational chemistryFormal methods for softwareMetals and alloy materialsCondensed matter modelling and density functional theory
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Journal

Publications (5)

Sort by Publication Date:
|Feb 12, 2025
Crash testing machine learning force fields for molecules, materials, and interfaces: model analysis in the TEA Challenge 2023.

Igor Poltavsky, Anton Charkin-Gorbulin, Mirela Puleva

|Feb 06, 2025
Crash testing machine learning force fields for molecules, materials, and interfaces: molecular dynamics in the TEA challenge 2023.

Igor Poltavsky, Mirela Puleva, Anton Charkin-Gorbulin

|Aug 09, 2024
Guest editorial: Special Topic on software for atomistic machine learning.

Matthias Rupp, Emine Küçükbenli, Gábor Csányi

|Sep 05, 2020
Identifying domains of applicability of machine learning models for materials science.

Christopher Sutton, Mario Boley, Luca M Ghiringhelli

|May 16, 2015
Quantum chemistry structures and properties of 134 kilo molecules.

Raghunathan Ramakrishnan, Pavlo O Dral, Matthias Rupp

Pageof 1

Frequent Collaborators

3 joint publications

Gábor Csányi

2 joint publications

Markus Meuwly

2 joint publications

Alexandre Tkatchenko

2 joint publications

O Anatole von Lilienfeld

2 joint publications

Kai Töpfer

2 joint publications

Kai Riedmiller

2 joint publications

Igor Poltavsky

2 joint publications

J Thorben Frank

2 joint publications

Silvan Käser

2 joint publications

Adil Kabylda

Frequent Collaborators

3 joint publications

Gábor Csányi

2 joint publications

Markus Meuwly

2 joint publications

Alexandre Tkatchenko

2 joint publications

O Anatole von Lilienfeld

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