Dr. Christian Wick

Graduiertenkolleg 2423 Skalenübergreifende Bruchvorgänge: Integration von Mechanik, Materialwissenschaften, Mathematik, Chemie und Physik Computer-Chemie-Centrum Physics Underlying Life Science

Block Chemistry for Accurate Modeling of Epoxy Resins (2023) Livraghi M, Pahi S, Nowakowski P, Smith DM, Wick C, Smith AS Journal article On equilibrating non-periodic molecular dynamics samples for coupled particle-continuum simulations of amorphous polymers (2023) Weber F, Ries M, Bauer C, Wick C, Pfaller S Journal article Evaluating the predictive character of the method of constrained geometries simulate external force with density functional theory (2022) Wick C, Topraksal E, Smith DM, Smith AS Journal article Bis-polyethylene glycol-functionalized imidazolium ionic liquids: A multi-method approach towards bulk and surface properties (2022) Seidl V, Bosch M, Paap U, Livraghi M, Zhai Z, Wick C, Koller TM, et al. Journal article Improving the Performance of Supported Ionic Liquid Phase Catalysts for the Ultra-Low-Temperature Water Gas Shift Reaction Using Organic Salt Additives (2022) Wolf P, Wick C, Mehler J, Blaumeiser D, Schötz S, Bauer T, Libuda J, et al. Journal article An Exact Algorithm to Detect the Percolation Transition in Molecular Dynamics Simulations of Cross-Linking Polymer Networks (2021) Livraghi M, Höllring K, Wick C, Smith DM, Smith AS Journal article, Original article Structural characterization of an ionic liquid in bulk and in nano-confined environment using data from MD simulations (2020) Vučemilović-Alagić N, Banhatti RD, Stepic R, Wick C, Berger D, Gaimann MU, Baer A, et al. Journal article Cu carbonyls enhance the performance of Ru-based SILP water-gas shift catalysts: a combined in situ DRIFTS and DFT study (2020) Blaumeiser D, Stepic R, Wolf P, Wick C, Haumann M, Wasserscheid P, Smith DM, et al. Journal article Insights from molecular dynamics simulations on structural organization and diffusive dynamics of an ionic liquid at solid and vacuum interfaces (2019) Vučemilović-Alagić N, Banhatti RD, Stepic R, Wick C, Berger D, Gaimann MU, Baer A, et al. Journal article Mechanism of the Water–Gas Shift Reaction Catalyzed by Efficient Ruthenium-Based Catalysts: A Computational and Experimental Study (2019) Stepic R, Wick C, Strobel V, Berger D, Vucemilovic-Alagic N, Haumann M, Wasserscheid P, et al. Journal article