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Kulyk, Nadiia; Berger, Daniel; Smith, Ana-Sunčana; Harting, Jens (2020) Catalytic flow with a coupled finite difference — Lattice Boltzmann scheme. Computer physics communications, 256 . ISSN 0010-4655
Vučemilović-Alagić, Nataša; Banhatti, Radha D.; Stepić, Robert; Wick, Christian R.; Berger, Daniel; Gaimann, Mario U.; Baer, Andreas; Harting, Jens; Smith, David M.; Smith, Ana-Sunčana (2019) Insights from molecular dynamics simulations on structural organization and diffusive dynamics of an ionic liquid at solid and vacuum interfaces. Journal of Colloid and Interface Science, 553 . pp. 350-363. ISSN 0021-9797
Stepić, Robert; Wick, Christian R.; Strobel, Vinzent; Berger, Daniel; Vučemilović-Alagić, Nataša; Haumann, Marco; Wasserscheid, Peter; Smith, Ana Sunčana; Smith, David M. (2019) Mechanism of the Water–Gas Shift Reaction Catalyzed by Efficient Ruthenium-Based Catalysts: A Computational and Experimental Study. Angewandte Chemie International Edition, 58 (3). pp. 741-745. ISSN 1433-7851