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Jutta Rogal — most-cited papers & profile · AI for Science
← authors
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overview
Jutta Rogal
5
papers ·
7
citations ·
33
h-index
Institute of Catalysis and Petrochemistry · Flatiron Health (United States) · Flatiron Institute
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Most-cited papers
Machine learning classification of local environments in molecular crystals
2024 · 6 citations
MXtalTools: A Toolkit for Machine Learning on Molecular Crystals
2025 · 1 citations
Markov State Models for Tracking Reaction Dynamics on Catalytic Nanoparticles
2026
Assessing generative modeling approaches for free energy estimates in condensed matter
2025
Multi-Type Point Cloud Autoencoder: A Complete Equivariant Embedding for Molecule Conformation and Pose
2024
Top co-authors
Michael Kilgour
· 3
Mark E. Tuckerman
· 2
Caitlin A. McCandler
· 1
Chatipat Lorpaiboon
· 1
Daisuke Kuroshima
· 1
Emil Hoffmann
· 1
Frank No\'e
· 1
Jiajun He
· 1
Mark Tuckerman
· 1
Maximilian Schebek
· 1
Timothy C. Berkelbach
· 1
Yuanqi Du
· 1
Topics
Materials
Chemistry
Physics ML
Drug Discovery