Jutta Rogal

12 papers Journal 12
YearRankTypeTitle / Venue / Authors
2026 J jnl
Boltzmann Generators for Condensed Matter via Riemannian Flow Matching.
CoRR
Emil Hoffmann, Maximilian Schebek, Leon Klein, Frank Noé, Jutta Rogal
2025 J jnl
Assessing generative modeling approaches for free energy estimates in condensed matter.
CoRR
Maximilian Schebek, Jiajun He, Emil Hoffmann, Yuanqi Du, Frank Noé, Jutta Rogal
2025 J jnl
Automated Machine Learning Pipeline for Training and Analysis Using Large Language Models.
CoRR
Adam Lahouari, Jutta Rogal, Mark E. Tuckerman
2025 J jnl
Estimating Solvation Free Energies with Boltzmann Generators.
CoRR
Maximilian Schebek, Nikolas M. Froböse, Bettina G. Keller, Jutta Rogal
2025 J jnl
MXtalTools: A Toolkit for Machine Learning on Molecular Crystals.
CoRR
Michael Kilgour, Mark E. Tuckerman, Jutta Rogal
2025 J jnl
Multi-type point cloud autoencoder: a complete equivariant embedding for molecule conformation and pose.
Mach. Learn. Sci. Technol.
Michael Kilgour, Mark E. Tuckerman, Jutta Rogal
2025 J jnl
Scalable Boltzmann Generators for equilibrium sampling of large-scale materials.
CoRR
Maximilian Schebek, Jutta Rogal
2024 J jnl
Efficient mapping of phase diagrams with conditional Boltzmann Generators.
Mach. Learn. Sci. Technol.
Maximilian Schebek, Michele Invernizzi, Frank Noé, Jutta Rogal
2024 J jnl
Efficient mapping of phase diagrams with conditional normalizing flows.
CoRR
Maximilian Schebek, Michele Invernizzi, Frank Noé, Jutta Rogal
2024 J jnl
Multi-Type Point Cloud Autoencoder: A Complete Equivariant Embedding for Molecule Conformation and Pose.
CoRR
Michael Kilgour, Jutta Rogal, Mark E. Tuckerman
2023 J jnl
Geometric Deep Learning for Molecular Crystal Structure Prediction.
CoRR
Michael Kilgour, Jutta Rogal, Mark E. Tuckerman
2019 J jnl
pyscal: A python module for structural analysis of atomic environments.
J. Open Source Softw.
Sarath Menon, Grisell Leines, Jutta Rogal