Florian Schiffmann
Florian Schiffmann
Victoria University, Melbourne
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Cited by
Year
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
3702011
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
2072008
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
1352014
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
1062014
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
1032010
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
932020
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
932010
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
612014
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
582012
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
512008
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
362016
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
242012
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
182011
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
162014
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
62013
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
52015
An atomistic picture of the active interface in dye sensitized solar cells
F Schiffmann
University of Zurich, 2010
2010
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Articles 1–18