7 June 2008

Guidon, Manuel, Schiffmann, Florian ORCID: 0000-0002-1355-8084, Hutter, J and Vandevondele, J (2008) Ab initio molecular dynamics using hybrid density functionals. Journal of Chemical Physics, 128 (21). ISSN 0021-9606

20 April 2010

Schiffmann, Florian ORCID: 0000-0002-1355-8084, Vandevondele, J, Hutter, J, Wirz, R, Urakawa, A and Baiker, A (2010) Protonation-dependent binding of ruthenium bipyridyl complexes to the anatase(101) surface. Journal of Physical Chemistry C, 114 (18). 8398 - 8404. ISSN 1932-7447

2014

Hutter, J, Iannuzzi, Marcella, Schiffmann, Florian ORCID: 0000-0002-1355-8084 and Vandevondele, J (2014) Cp2k: atomistic simulations of condensed matter systems. Wiley Interdisciplinary Reviews: Computational Molecular Science, 4 (1). 15 - 25. ISSN 1759-0884

27 March 2014

Spreafico, C, Schiffmann, Florian ORCID: 0000-0002-1355-8084 and Vandevondele, J (2014) Structure and mobility of acetic acid at the anatase (101)/acetonitrile interface. Journal of Physical Chemistry C, 118 (12). 6251 - 6260. ISSN 1932-7447

2 April 2014

Payamyar, P, Kaja, K, Ruiz-Vargas, C, Stemmer, A, Murray, DJ, Johnson, CJ, King, BT, Schiffmann, Florian ORCID: 0000-0002-1355-8084, Vandevondele, J, Renn, A, Götzinger, S, Ceroni, P, Schütz, A, Lee, LT, Zheng, Z, Sakamoto, J and Schlüter, AD (2014) Synthesis of a covalent monolayer sheet by photochemical anthracene dimerization at the air/water interface and its mechanical characterization by AFM indentation. Advanced Materials, 26 (13). 2052 - 2058. ISSN 0935-9648

23 April 2014

Zheng, Z, Opilik, L, Schiffmann, Florian ORCID: 0000-0002-1355-8084, Liu, W, Bergamini, G, Ceroni, P, Lee, LT, Schütz, A, Sakamoto, J, Zenobi, R, Vandevondele, J and Schlüter, AD (2014) Synthesis of two-dimensional analogues of copolymers by site-to-site transmetalation of organometallic monolayer sheets. Journal of the American Chemical Society, 136 (16). 6103 - 6110. ISSN 0002-7863

19 May 2020

Kühne, Thomas D, Iannuzzi, Marcella, Del Ben, Mauro, Rybkin, Vladimir V, Seewald, Patrick, Stein, Frederick, Laino, Teodoro, Khaliullin, Rustam Z, Schütt, Ole, Schiffmann, Florian ORCID: 0000-0002-1355-8084, Golze, Dorothea, Wilhelm, Jan, Chulkov, Sergey, Bani-Hashemian, Mohammad Hossein, Weber, Valéry, Borštnik, Urban, Taillefumier, Mathieu, Jakobovits, Alice Shoshana, Lazzaro, Alfio, Pabst, Hans, Müller, Tiziano, Schade, Robert, Guidon, Manuel, Andermatt, Samuel, Holmberg, Nico, Schenter, Gregory K, Hehn, Anna, Bussy, Augustin, Belleflamme, Fabian, Tabacchi, Gloria, Glöß, Andreas, Lass, Michael, Bethune, Iain, Mundy, Christopher J, Plessl, Christian, Watkins, Matt, Vandevondele, J, Krack, Matthias and Hutter, J (2020) CP2K: an electronic structure and molecular dynamics software package - Quickstep: efficient and accurate electronic structure calculations. Journal of Chemical Physics, 152 (19). ISSN 0021-9606