Detect the Interactions that Matter in Matter: Geometric Attention for Many-Body Systems. - J. Thorben Frank; Stefan Chmiela (CoRR, 2021)

So3krates: Equivariant attention for interactions on arbitrary length-scales in molecular systems. - J. Thorben Frank; Oliver T. Unke; Klaus-Robert Müller (NeurIPS, 2022)

So3krates - Self-attention for higher-order geometric interactions on arbitrary length-scales. - J. Thorben Frank; Oliver T. Unke; Klaus-Robert Müller (CoRR, 2022)

Stress and heat flux via automatic differentiation. - Marcel F. Langer; J. Thorben Frank; Florian Knoop (CoRR, 2023)

From Peptides to Nanostructures: A Euclidean Transformer for Fast and Stable Machine Learned Force Fields. - J. Thorben Frank; Oliver T. Unke; Klaus-Robert Müller; Stefan Chmiela (CoRR, 2023)

Euclidean Fast Attention: Machine Learning Global Atomic Representations at Linear Cost. - J. Thorben Frank; Stefan Chmiela; Klaus-Robert Müller; Oliver T. Unke (CoRR, 2024)

Sampling 3D Molecular Conformers with Diffusion Transformers. - J. Thorben Frank; Winfried Ripken; Gregor Lied; Klaus-Robert Müller; Oliver T. Unke; Stefan Chmiela (CoRR, 2025)