Jutta Rogal

According to our database, Jutta Rogal authored at least 12 papers between 2019 and 2026.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2026

MolCryst-MLIPs: A Machine-Learned Interatomic Potentials Database for Molecular Crystals.

Adam Lahouari, Shen Ai, Jihye Han, Jillian Hoffstadt, Philipp Hoellmer, Charlotte Infante, Pulkita Jain, Sangram Kadam, Maya M. Martirossyan, Amara McCune, Hypatia Newton, Shlok J. Paul, Willmor Pena, Jonathan Raghoonanan, Sumon Sahu, Oliver Tan, Andrea Vergara, Jutta Rogal, Mark E. Tuckerman

CoRR, April, 2026

Boltzmann Generators for Condensed Matter via Riemannian Flow Matching.

Emil Hoffmann, Maximilian Schebek, Leon Klein, Frank Noé, Jutta Rogal

CoRR, February, 2026

MXtalTools: A Toolkit for Machine Learning on Molecular Crystals.

Michael Kilgour, Mark E. Tuckerman, Jutta Rogal

J. Chem. Inf. Model., 2026

2025

Assessing generative modeling approaches for free energy estimates in condensed matter.

Maximilian Schebek, Jiajun He, Emil Hoffmann, Yuanqi Du, Frank Noé, Jutta Rogal

CoRR, December, 2025

Estimating Solvation Free Energies with Boltzmann Generators.

Maximilian Schebek, Nikolas M. Froböse, Bettina G. Keller, Jutta Rogal

CoRR, December, 2025

Scalable Boltzmann Generators for equilibrium sampling of large-scale materials.

Maximilian Schebek, Jutta Rogal

CoRR, September, 2025

Automated Machine Learning Pipeline for Training and Analysis Using Large Language Models.

Adam Lahouari, Jutta Rogal, Mark E. Tuckerman

CoRR, September, 2025

Multi-type point cloud autoencoder: a complete equivariant embedding for molecule conformation and pose.

Michael Kilgour, Mark E. Tuckerman, Jutta Rogal

Mach. Learn. Sci. Technol., 2025

2024

Efficient mapping of phase diagrams with conditional Boltzmann Generators.

Maximilian Schebek, Michele Invernizzi, Frank Noé, Jutta Rogal

Mach. Learn. Sci. Technol., 2024

Efficient mapping of phase diagrams with conditional normalizing flows.

Maximilian Schebek, Michele Invernizzi, Frank Noé, Jutta Rogal

CoRR, 2024

2023

Geometric Deep Learning for Molecular Crystal Structure Prediction.

Michael Kilgour, Jutta Rogal, Mark E. Tuckerman

CoRR, 2023

2019

pyscal: A python module for structural analysis of atomic environments.

Sarath Menon, Grisell Leines, Jutta Rogal

J. Open Source Softw., 2019