Thorben Frank

PhD student, Computer Science, TU Berlin

Joined

May 2021

Names

Thorben Frank (Preferred)

Emails

****@gmail.com (Confirmed)

****@googlemail.com (Confirmed)

Personal Links

Google Scholar

DBLP

Career & Education History

PhD student

Computer Science, TU Berlin (tu-berlin.de)

2020 – Present

Advisors, Relations & Conflicts

PhD Advisor

Klaus Robert Muller

Present

Coworker

Stefan Chmiela

Present

Coauthor

Oliver T. Unke

Present

Coauthor

Alexandre Tkatchenko

Present

Coworker

Stefan Gugler

Present

Coworker

Niklas Wolf Andreas Gebauer

Present

Expertise

Machine Learning for Molecular Simulations

Present

Machine Learning Force Fields

Present

Equivariant Message Passing Neural Networks

Present

Publications

Learning Hamiltonian Flow Maps: Mean Flow Consistency for Large-Timestep Molecular Dynamics
Winfried Ripken, Michael Plainer, Gregor Lied, Thorben Frank, Oliver T. Unke, Stefan Chmiela, Frank Noe, Klaus Robert Muller
- AI4Mat-ICLR-2026 Spotlight
- Readers: Everyone
Sampling 3D Molecular Conformers with Diffusion Transformers
Thorben Frank, Winfried Ripken, Gregor Lied, Klaus Robert Muller, Oliver T. Unke, Stefan Chmiela
- NeurIPS2025-AI4Science Poster
- Readers: Everyone
Sampling 3D Molecular Conformers with Diffusion Transformers
Thorben Frank, Winfried Ripken, Gregor Lied, Klaus Robert Muller, Oliver T. Unke, Stefan Chmiela
- NeurIPS 2025 poster
- Readers: Everyone
Molecular Simulations with a Pretrained Neural Network and Universal Pairwise Force Fields
Adil Kabylda, Thorben Frank, Sergio Suárez-Dou, Almaz Khabibrakhmanov, Leonardo Medrano Sandonas, Oliver T. Unke, Stefan Chmiela, Klaus Robert Muller, Alexandre Tkatchenko
- AI4X 2025 Oral
- Readers: Everyone
Crash testing machine learning force fields for molecules, materials, and interfaces: molecular dynamics in the TEA challenge 2023
Igor Poltavskyi, Mirela Puleva, Anton Charkin-Gorbulin, Grégory Fonseca, Ilyes Batatia, Nicholas J. Browning, Stefan Chmiela, Mengnan Cui, Thorben Frank, Stefan Heinen, Bing Huang, Silvan Käser, Adil Kabylda, Danish Khan, Carolin Müller, Alastair James Arthur Price, Kai Riedmiller, Kai Töpfer, Tsz Wai Ko, Markus Meuwly et al. (6 additional authors not shown)
- AI4X 2025 Oral
- Readers: Everyone
Euclidean Fast Attention: Machine Learning Global Atomic Representations at Linear Cost
J. Thorben Frank, Stefan Chmiela, Klaus-Robert Müller, Oliver T. Unke
- CoRR 2024
- Readers: Everyone
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
- Readers: Everyone
Stress and heat flux via automatic differentiation
Marcel F. Langer, J. Thorben Frank, Florian Knoop
- CoRR 2023
- Readers: Everyone
So3krates: Equivariant attention for interactions on arbitrary length-scales in molecular systems
Thorben Frank, Oliver Thorsten Unke, Klaus Robert Muller
- Published: 31 Oct 2022, Last Modified: 09 Jan 2023
- NeurIPS 2022 Accept
- Readers: Everyone
So3krates: Equivariant attention for interactions on arbitrary length-scales in molecular systems
J. Thorben Frank, Oliver T. Unke, Klaus-Robert Müller
- NeurIPS 2022
- Readers: Everyone

View all 12 publications

Co-Authors

View all 37 co-authors