Johannes Kästner

68PUBLICATIONS
110CO-AUTHORS
Computational chemistryTransition metal chemistryOrganometallic chemistrySemi- and unsupervised learningReaction kinetics and dynamics
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Publications (68)

|Aug 12, 2026
Robust generative transition-state models for unseen chemistry.

|May 20, 2026
Effect of Salt Additives on Dinitrogen Activation Mediated by Boron-Based Compounds: Insights from Theory.

|May 11, 2026
Asymmetric α-Alkylation With Activated and Unactivated Electrophiles by a Highly Productive and Recyclable Lewis Acid/Imidazolium Catalyst.

|May 08, 2026
How to Train a Shallow Ensemble.

|Apr 13, 2026
Desorption dynamics of interstellar molecule on amorphous solid water investigated by machine learning potential-based PaCS-MD simulation.

Natsuki Watanabe, Johannes Kästner, Yuta Hori

|Mar 25, 2026
Atom Addition Formation of Thionylimide (HNSO) on Interstellar Dust Grains: Chemical Routes Requiring Oxygen and Nitrogen Atom Surface Diffusion.

Juan Carlos Del Valle, Miguel Sanz-Novo, Johannes Kästner

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Frequent Collaborators

7 joint publications

Germán Molpeceres

6 joint publications

Jan Meisner

5 joint publications

Moritz Schäfer

5 joint publications

René Peters