Johannes Kästner

University of Stuttgart — Germany

Materials Science · Physical Sciences

47h-index10.4kcitations499works1.92yr avg
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Research Topics

Crystallization and Solubility Studies(80), X-ray Diffraction in Crystallography(74), Advanced Chemical Physics Studies(64), Amyloidosis: Diagnosis, Treatment, Outcomes(51), Machine Learning in Materials Science(35)

Publications497 total

Boosting Computational Catalysis and Chemical Reactivity with Artificial Intelligence
Journal of the American Chemical Society·2026
Publication data for: "Class-II-aldolase-mimicking polyfunctional Lewis acid/azolium-aryloxide catalysts in direct enantioselective nitro-aldol additions"
Universitätsbibliothek Stuttgart·2026Open Access
How to Train a Shallow Ensemble
arXiv (Cornell University)·2026Open Access
How to Train a Shallow Ensemble
ArXiv.org·2026Open Access
Emissive Liquid Crystalline Boron <i>C</i> , <i>N</i> ‐Chelates: Synthesis, Self‐assembly, and Photophysical Properties
Chemistry - A European Journal·2026Open Access
Atom Addition Formation of Thionylimide (HNSO) on Interstellar Dust Grains: Chemical routes requiring oxygen and nitrogen atom surface diffusion
arXiv (Cornell University)·2026Open Access
Atom Addition Formation of Thionylimide (HNSO) on Interstellar Dust Grains: Chemical routes requiring oxygen and nitrogen atom surface diffusion
ArXiv.org·2026Open Access
Adaptive Transition-State Refinement with Learned Equilibrium Flows
Journal of Chemical Information and Modeling·2026Open Access
Enhanced Representation-Based Sampling for the Efficient Generation of Data Sets for Machine-Learned Interatomic Potentials
Journal of Chemical Theory and Computation·2026Open Access
Atom Addition Formation of Thionylimide (HNSO) on Interstellar Dust Grains: Chemical routes requiring oxygen and nitrogen atom surface diffusion
Zenodo (CERN European Organization for Nuclear Research)·2026Open Access
Atom Addition Formation of Thionylimide (HNSO) on Interstellar Dust Grains: Chemical routes requiring oxygen and nitrogen atom surface diffusion
Zenodo (CERN European Organization for Nuclear Research)·2026Open Access
Beyond the Training Domain: Robust Generative Transition State Models for Unseen Chemistry
ArXiv.org·2026Open Access
Beyond the Training Domain: Robust Generative Transition State Models for Unseen Chemistry
arXiv (Cornell University)·2026Open Access
Enhanced Representation-Based Sampling for the Efficient Generation of Datasets for Machine-Learned Interatomic Potentials
arXiv (Cornell University)·2026Open Access
Tuning Regioselectivity in Cyclopolymerization through Carbene Ligand Size Modulation in Molybdenum Imido Alkylidene Catalysts
Macromolecules·2026Open Access
Chiral Rh diene NHC Complexes and their Application in Rh-Catalyzed Cycloisomerization of Enynes
2026Open Access
Replication Data for: Chiral Rh diene NHC Complexes and their Application in Rh-Catalyzed Cycloisomerization of Enynes
Universitätsbibliothek Stuttgart·2026Open Access
Replication Data for: Correlating the Reactivity of Molybdenum Imido Alkylidene N-Heterocyclic Carbene Complexes in Ene-Yne Metathesis and Cyclopolymerization
Universitätsbibliothek Stuttgart·2026Open Access
Tuning regioselectivity in cyclopolymerization through carbene ligand size modulation in molybdenum imido alkylidene catalysts
OPUS Publication Server of the University of Stuttgart (University of Stuttgart)·2026Open Access
Reliable Redox-Potential Simulations of Proteins
Journal of Chemical Theory and Computation·2025
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Frequent Co-authors

Walter Thiel(6), Paul Sherwood(5), Michael Wolzt(4), T. P. M. Goumans(4), Jan Meisner(4), Hans Martin Senn(3), Hans‐Georg Eichler(3), Judith B. Rommel(3), Laura Nunes dos Santos Comprido(3), Johannes E. M. N. Klein(3), Gerald Knizia(3), A. Stephen K. Hashmi(3), Christian Hengstenberg(3), René Rettl(3), Franz Duca(3), Theresa-Marie Dachs(3), Luciana Camuz Ligios(3), Daniel Dalos(3), Thanja Lamberts(3), Thomas W. Keal(2)