Christoph Ortner

5PUBLICATIONS
91CO-AUTHORS
Computational chemistryEvolutionary computationData structures and algorithmsTheoretical and computational chemistry not elsewhere classifiedTheory and design of materials
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Publications (5)

|Nov 13, 2025
A foundation model for atomistic materials chemistry.

Ilyes Batatia, Philipp Benner, Yuan Chiang

|Oct 23, 2023
ACEpotentials.jl: A Julia implementation of the atomic cluster expansion.

William C Witt, Cas van der Oord, Elena Gelžinytė

|Aug 30, 2023
Local invertibility and sensitivity of atomic structure-feature mappings.

Sergey N Pozdnyakov, Liwei Zhang, Christoph Ortner

|Nov 08, 2022
Comment on "Manifolds of quasi-constant SOAP and ACSF fingerprints and the resulting failure to machine learn four-body interactions" [J. Chem. Phys. 156, 034302 (2022)].

Sergey N Pozdnyakov, Michael J Willatt, Albert P Bartók

|Jul 26, 2021
Physics-Inspired Structural Representations for Molecules and Materials.

Felix Musil, Andrea Grisafi, Albert P Bartók

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Frequent Collaborators

4 joint publications

Gábor Csányi

4 joint publications

Michele Ceriotti

2 joint publications

James R Kermode

2 joint publications

Sergey N Pozdnyakov