Konstantin S Jakob

3PUBLICATIONS
85CO-AUTHORS
Metals and alloy materialsComputational chemistryTheory and design of materials
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Publications (3)

|Aug 11, 2026
Benchmarking local geometry optimization algorithms for computational materials discovery.

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

Ilyes Batatia, Philipp Benner, Yuan Chiang

|Oct 23, 2025
Learning Crystallographic Disorder: Bridging Prediction and Experiment in Materials Discovery.

Konstantin S Jakob, Aron Walsh, Karsten Reuter

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Frequent Collaborators

3 joint publications

Karsten Reuter

3 joint publications

Johannes T Margraf

1 joint publications

Aron Walsh

1 joint publications

Ilyes Batatia