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Home Rabben, Robert Julian

Rabben, Robert Julian

Contact

Position
Guest
Room
4035
Email
Email
Division
Mathematics of Complex Systems
Department
Modeling and Simulation of Complex Processes
Group
Computational Molecular Design

Projects

Projects as Member

HPC and Machine Learning for Drug Discovery

HPC and ML for Drug Discovery

High-performance computers are required to simulate complex systems that allow to study the behavior of molecules under real conditions. This project combines artificial... HPC and ML for Drug Discovery

Publications

2025
Capturing the Macroscopic Behaviour of Molecular Dynamics with Membership Functions Mathematical Optimization for Machine Learning: Proceedings of the MATH+ Thematic Einstein Semester 2023, K. Fackeldey (Ed.), pp. 41-58, 2025 Alexander Sikorski, Robert Julian Rabben, Surahit Chewle, Marcus Weber BibTeX
arXiv
DOI
2020
ISOKANN: Invariant subspaces of Koopman operators learned by a neural network The Journal of Chemical Physics, 153(11), p. 114109, 2020 Robert Julian Rabben, Sourav Ray, Marcus Weber BibTeX
DOI