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Johannes Kästner

  1. Interlayer Interactions as Design Tool for Large-Pore COFs
    2021/09/08 by Sebastian T. Emmerling, Robin Schuldt, Sebastian Bette +4 · 29 citations
    Chemistry · Materials Science · #Chemical engineering #Chemical physics #Chemistry #Covalent Organic Framework Applications #Covalent bond #Luminescence and Fluorescent Materials #Materials science #Metal-Organic Frameworks: Synthesis and Applications #Nanotechnology #Organic chemistry #Phase (matter) #Solubility #Stacking #Thermal stability
  2. The Case of H2C3O Isomers, Revisited: Solving the Mystery of the Missing Propadienone
    2019/04/25 by Christopher N. Shingledecker, Sonia Álvarez-Barcia, Viktoria H. Korn +1 · 2 citations
    Physics and Astronomy · #astro-ph.GA #physics.chem-ph
  3. Isomers in Interstellar Environments (I): The Case of Z- and E-Cyanomethanimine
    2020/05/19 by Christopher N. Shingledecker, Germán Molpeceres, Víctor Rivilla +2 · 2 citations
    Physics and Astronomy · #astro-ph.GA #physics.chem-ph
  4. Neural-Network Assisted Study of Nitrogen Atom Dynamics on Amorphous Solid Water. I. Adsorption & Desorption
    2020/09/21 by Germán Molpeceres, Viktor Zaverkin, Johannes Kästner · 2 citations
    Physics and Astronomy · #astro-ph.GA #physics.comp-ph
  5. The role of atom tunneling in gas-phase reactions in planet-forming disks
    2019/06/06 by Jan Meisner, Inga Kamp, Wing-Fai Thi +1 · 1 citation
    Physics and Astronomy · #astro-ph.SR #astro-ph.EP #astro-ph.GA
  6. A Framework and Benchmark for Deep Batch Active Learning for Regression
    2022/03/17 by David Holzmüller, Viktor Zaverkin, Johannes Kästner +1 · 1 voice · 1 citation
    Mathematics · Computer Science · #stat.ML #cs.LG #cs.NE
  7. Tunneling Rate Constants for H2CO+H on Amorphous Solid Water Surfaces
    2020/09/09 by Lei Song, Johannes Kästner · 1 citation
    Physics and Astronomy · #astro-ph.GA
  8. Fast and Sample-Efficient Interatomic Neural Network Potentials for Molecules and Materials Based on Gaussian Moments
    2021/09/20 by Viktor Zaverkin, David Holzmüller, Ingo Steinwart +1 · 1 voice · 1 citation
    Chemistry · Computer Science · Materials Science · Mathematics · Physics and Astronomy · #Computational Drug Discovery Methods #Machine Learning in Materials Science #Various Chemistry Research Topics #physics.comp-ph #stat.ML
  9. Strategies for the Construction of Machine-Learning Potentials for Accurate and Efficient Atomic-Scale Simulations
    2021/01/31 by April M. Miksch, Tobias Morawietz, Johannes Kästner +2 · 1 citation
    Physics and Astronomy · #cond-mat.mtrl-sci
  10. Influence of Layer Slipping on Adsorption of Light Gases in Covalent Organic Frameworks: A Combined Experimental and Computational Study
    2021/12/19 by Christopher Kessler, Robin Schuldt, Kessler, Christopher +11 · 1 citation
    Physics and Astronomy · #Chemical Physics (physics.chem-ph) #FOS: Physical sciences #physics.chem-ph
  11. Gaussian Moments as Physically Inspired Molecular Descriptors for Accurate and Scalable Machine Learning Potentials
    2021/09/15 by Viktor Zaverkin, Johannes Kästner · 1 citation
    Physics and Astronomy · Mathematics · #physics.comp-ph #stat.ML
  12. CO Adsorption Sites on Interstellar Water Ices Explored with Machine Learning Potentials. Binding energy distributions and snowline
    2025/08/19 by Giulia M. Bovolenta, Germán Molpeceres, Bovolenta, Giulia M. +7 · 5 citations
    Environmental Science · Engineering · #Methane Hydrates and Related Phenomena #Carbon Dioxide Capture Technologies #Atmospheric and Environmental Gas Dynamics
  13. Structural characterization of surface immobilized platinum hydrides by sensitivity-enhanced 195 Pt solid state NMR spectroscopy and DFT calculations
    2024/11/20 by Benjamin A. Atterberry, Erik Wimmer, Sina Klostermann +4 · 1 voice · 2 citations
    Chemistry · Engineering · Materials Science · #Advanced Battery Materials and Technologies #Advanced NMR Techniques and Applications #Hydrogen Storage and Materials
  14. Activation and protonation of dinitrogen at the FeMo cofactor of nitrogenase
    2005/07/31 by Johannes Kaestner, Johannes Kästner, Sascha Hemmen +2 · 1 citation
    Biochemistry, Genetics and Molecular Biology · Chemistry · Energy · #Metal-Catalyzed Oxygenation Mechanisms #Metalloenzymes and iron-sulfur proteins #Organometallic Complex Synthesis and Catalysis #q-bio.BM
  15. N2 Binding to the FeMo‐Cofactor of Nitrogenase
    2014/08/01 by Philipp P. Hallmen, Johannes Kästner · 1 citation
    Energy · Chemical Engineering · Materials Science · #Metalloenzymes and iron-sulfur proteins #Ammonia Synthesis and Nitrogen Reduction #Hydrogen Storage and Materials
  16. Formation of the interstellar sugar precursor, (Z)-1,2-ethenediol, through radical reactions on dust grains
    2024/08/16 by Juan Carlos del Valle, del Valle, Juan Carlos, Pilar Redondo +5 · 1 citation
    Chemistry · Earth and Planetary Sciences · Physics and Astronomy · #Astrophysics and Star Formation Studies #Astrophysics of Galaxies (astro-ph.GA) #Atmospheric Ozone and Climate #FOS: Physical sciences #Molecular Spectroscopy and Structure