| cp2k: atomistic simulations of condensed matter systems J Hutter, M Iannuzzi, F Schiffmann, J VandeVondele Wiley Interdisciplinary Reviews: Computational Molecular Science 4 (1), 15-25, 2014 | 1599* | 2014 |
| Modular and predictable assembly of porous organic molecular crystals JTA Jones, T Hasell, X Wu, J Bacsa, KE Jelfs, M Schmidtmann, SY Chong, ... Nature 474 (7351), 367-371, 2011 | 370 | 2011 |
| Ab initio molecular dynamics using hybrid density functionals M Guidon, F Schiffmann, J Hutter, J VandeVondele The Journal of chemical physics 128 (21), 214104, 2008 | 207 | 2008 |
| Synthesis of a covalent monolayer sheet by photochemical anthracene dimerization at the air/water interface and its mechanical characterization by AFM indentation P Payamyar, K Kaja, C Ruiz‐Vargas, A Stemmer, DJ Murray, CJ Johnson, ... Advanced materials 26 (13), 2052-2058, 2014 | 135 | 2014 |
| Synthesis of two-dimensional analogues of copolymers by site-to-site transmetalation of organometallic monolayer sheets Z Zheng, L Opilik, F Schiffmann, W Liu, G Bergamini, P Ceroni, LT Lee, ... Journal of the American Chemical Society 136 (16), 6103-6110, 2014 | 106 | 2014 |
| Protonation-dependent binding of ruthenium bipyridyl complexes to the anatase (101) surface F Schiffmann, J VandeVondele, J Hutter, R Wirz, A Urakawa, A Baiker The Journal of Physical Chemistry C 114 (18), 8398-8404, 2010 | 103 | 2010 |
| CP2K: An electronic structure and molecular dynamics software package-Quickstep: Efficient and accurate electronic structure calculations TD Kühne, M Iannuzzi, M Del Ben, VV Rybkin, P Seewald, F Stein, ... The Journal of Chemical Physics 152 (19), 194103, 2020 | 93 | 2020 |
| An atomistic picture of the regeneration process in dye sensitized solar cells F Schiffmann, J VandeVondele, J Hutter, A Urakawa, R Wirz, A Baiker Proceedings of the National Academy of Sciences 107 (11), 4830-4833, 2010 | 93 | 2010 |
| Predicted crystal energy landscapes of porous organic cages EO Pyzer-Knapp, HPG Thompson, F Schiffmann, KE Jelfs, SY Chong, ... Chemical Science 5 (6), 2235-2245, 2014 | 61 | 2014 |
| A polar corundum oxide displaying weak ferromagnetism at room temperature MR Li, U Adem, SRC McMitchell, Z Xu, CI Thomas, JE Warren, DV Giap, ... Journal of the American Chemical Society 134 (8), 3737-3747, 2012 | 58 | 2012 |
| Atomistic simulations of a solid/liquid interface: a combined force field and first principles approach to the structure and dynamics of acetonitrile near an anatase surface F Schiffmann, J Hutter, J VandeVondele Journal of Physics: Condensed Matter 20 (6), 064206, 2008 | 51 | 2008 |
| Combining linear-scaling DFT with subsystem DFT in Born–Oppenheimer and Ehrenfest molecular dynamics Simulations: from molecules to a virus in solution S Andermatt, J Cha, F Schiffmann, J VandeVondele Journal of chemical theory and computation 12 (7), 3214-3227, 2016 | 36 | 2016 |
| Prediction on the existence and chemical stability of cuprous fluoride A Walsh, CRA Catlow, R Galvelis, DO Scanlon, F Schiffmann, AA Sokol, ... Chemical Science 3 (8), 2565-2569, 2012 | 24 | 2012 |
| Conformer interconversion in a switchable porous organic cage KE Jelfs, F Schiffmann, JTA Jones, B Slater, F Cora, AI Cooper Physical Chemistry Chemical Physics 13 (45), 20081-20085, 2011 | 18 | 2011 |
| Structure and mobility of acetic acid at the anatase (101)/acetonitrile interface C Spreafico, F Schiffmann, J VandeVondele The Journal of Physical Chemistry C 118 (12), 6251-6260, 2014 | 16 | 2014 |
| Internal Activation Strain and Oxygen Mobility in a Thermally Stable Layered Fe3+ Oxide R Sayers, F Schiffmann, S Fearn, JA Kilner, B Slater, S Romani, ... Chemistry of Materials 25 (17), 3441-3457, 2013 | 6 | 2013 |
| Efficient preconditioning of the electronic structure problem in large scale ab initio molecular dynamics simulations F Schiffmann, J VandeVondele The Journal of chemical physics 142 (24), 244117, 2015 | 5 | 2015 |
| An atomistic picture of the active interface in dye sensitized solar cells F Schiffmann University of Zurich, 2010 | | 2010 |
