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Journal of Chemical Theory and Computation|January 25, 2023
Constructing Collective Variables Using Invariant Learned RepresentationsMartin Šípka, Andreas Erlebach, Lukáš Grajciar
Nature Communications|May 17, 2024
A reactive neural network framework for water-loaded acidic zeolitesAndreas Erlebach, Martin Šípka, Indranil Saha, et al.
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