Marlen Neubert

3PUBLICATIONS
18CO-AUTHORS
Computational chemistryComposite and hybrid materialsSemi- and unsupervised learning
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Publications (3)

|Apr 09, 2026
Learning potential energy surfaces of hydrogen atom transfer reactions in peptides.

Marlen Neubert, Patrick Reiser, Frauke Gräter

|Feb 26, 2026
Generative Models for Crystalline Materials.

Houssam Metni, Laura Ruple, Lauren N Walters

|Jun 30, 2025
PAL - parallel active learning for machine-learned potentials.

Chen Zhou, Marlen Neubert, Yuri Koide

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