Publications 2020

Academic Journals

1. Wolfgang E. Ernst, Andreas W. Hauser. Metal clusters synthesized in helium droplets: structure and dynamics from experiment and theory. Physical Chemistry Chemical Physics, 23(13):7553-7574, 2020.
2. Ralf Meyer, Manuel Weichselbaum, Andreas W Hauser. Machine Learning Approaches toward Orbital-free Density Functional Theory: Simultaneous Training on the Kinetic Energy Density Functional and Its Functional Derivative. Journal of Chemical Theory and Computation, 16(9):5685-5694, 2020. download
3. Ralf Meyer, Andreas W. Hauser. Geometry optimization using Gaussian process regression in internal coordinate systems. The Journal of Chemical Physics, 152(8), 2020. download
4. Martin Schnedlitz, Daniel Knez, Maximilian Lasserus, Ferdinand Hofer, Ricardo Fernández-Perea, Andreas W. Hauser, Marı́a Pilar de Lara-Castells, Wolfgang E. Ernst. Thermally Induced Diffusion and Restructuring of Iron Triade (Fe, Co, Ni) Nanoparticles Passivated by Several Layers of Gold. The Journal of Physical Chemistry C, 124(30):16680-16688, 2020. download

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