P 29893 Heterogeneous catalysis on metallic nanoparticles (FWF)

Andreas Hauser
Graz University of Technology (TU Graz)
Institute of Experimental Physics

VSC project / type: 71054 / funded

VSC-3 / status: 2017-09-11 - 2020-07-31 / active

Publications:

  • Meyer Ralf, Hauser Andreas W
    Geometry optimization using Gaussian process regression in internal coordinate systems.
    The Journal of chemical physics 152, 084112 (2020)

  • Meyer Ralf, Schmuck Klemens S., Hauser Andreas W.
    Machine Learning in Computational Chemistry: An Evaluation of Method Performance for Nudged Elastic Band Calculations
    JOURNAL OF CHEMICAL THEORY AND COMPUTATION 15, 6513 (2019)

  • Schnedlitz Martin, Fernandez-Perea Ricardo, Knez Daniel, Lasserus Maximilian, Schiffmann Alexander, Hofer Ferdinand, Hauser Andreas W., Pilar de Lara-Castells Maria, Ernst Wolfgang E.
    Effects of the Core Location on the Structural Stability of Ni-Au Core-Shell Nanoparticles
    JOURNAL OF PHYSICAL CHEMISTRY C 123, 20037 (2019)

  • Lasserus Maximilian, Schnedlitz Martin, Messner Roman, Lackner Florian, Ernst Wolfgang E., Hauser Andreas W.
    Vanadium(V) oxide clusters synthesized by sublimation from bulk under fully inert conditions
    CHEMICAL SCIENCE 10, 3473 (2019)



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