| 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 | 2227 | 2014 |
| 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 | 905 | 2020 |
| Efficient exploration of reactive potential energy surfaces using Car-Parrinello molecular dynamics M Iannuzzi, A Laio, M Parrinello Physical Review Letters 90 (23), 238302, 2003 | 850 | 2003 |
| Wiley Interdiscip J Hutter, M Iannuzzi, F Schiffmann, J VandeVondele Rev.: Comput. Mol. Sci 4 (1), 15-25, 2014 | 469 | 2014 |
| Promoting transparency and reproducibility in enhanced molecular simulations Nature methods 16 (8), 670-673, 2019 | 405 | 2019 |
| Boron nitride on Cu (111): an electronically corrugated monolayer S Joshi, D Ecija, R Koitz, M Iannuzzi, AP Seitsonen, J Hutter, H Sachdev, ... Nano letters 12 (11), 5821-5828, 2012 | 230 | 2012 |
| Determining potentials of zero charge of metal electrodes versus the standard hydrogen electrode from density-functional-theory-based molecular dynamics J Le, M Iannuzzi, A Cuesta, J Cheng Physical review letters 119 (1), 016801, 2017 | 140 | 2017 |
| Coverage Effect of the CO2 Adsorption Mechanisms on CeO2(111) by First Principles Analysis KR Hahn, M Iannuzzi, AP Seitsonen, J Hutter The Journal of Physical Chemistry C 117 (4), 1701-1711, 2013 | 114 | 2013 |
| Hexagonal boron nitride on transition metal surfaces J Gómez Díaz, Y Ding, R Koitz, AP Seitsonen, M Iannuzzi, J Hutter Theoretical Chemistry Accounts 132, 1-17, 2013 | 112 | 2013 |
| Dissociation mechanism of acetic acid in water JM Park, A Laio, M Iannuzzi, M Parrinello Journal of the American Chemical Society 128 (35), 11318-11319, 2006 | 112 | 2006 |
| Density functional embedding for molecular systems M Iannuzzi, B Kirchner, J Hutter Chemical physics letters 421 (1-3), 16-20, 2006 | 107 | 2006 |
| Azulene‐to‐Naphthalene Rearrangement: The Car–Parrinello Metadynamics Method Explores Various Reaction Mechanisms A Stirling, M Iannuzzi, A Laio, M Parrinello ChemPhysChem 5 (10), 1558-1568, 2004 | 96 | 2004 |
| Proton transfer in heterocycle crystals M Iannuzzi, M Parrinello Physical review letters 93 (2), 025901, 2004 | 94 | 2004 |
| Inner-shell spectroscopy by the Gaussian and augmented plane wave method M Iannuzzi, J Hutter Physical Chemistry Chemical Physics 9 (13), 1599-1610, 2007 | 86 | 2007 |
| Ab initio study of dehydroxylation− carbonation reaction on brucite surface SV Churakov, M Iannuzzi, M Parrinello The Journal of Physical Chemistry B 108 (31), 11567-11574, 2004 | 85 | 2004 |
| Influence of DNA structure on the reactivity of the guanine radical cation FL Gervasio, A Laio, M Iannuzzi, M Parrinello Chemistry–A European Journal 10 (19), 4846-4852, 2004 | 82 | 2004 |
| Nanotexture switching of single‐layer hexagonal boron nitride on rhodium by intercalation of hydrogen atoms T Brugger, H Ma, M Iannuzzi, S Berner, A Winkler, J Hutter, J Osterwalder, ... Angewandte Chemie International Edition 49 (35), 6120-6124, 2010 | 78 | 2010 |
| Towards a Rational Design of Ruthenium CO2 Hydrogenation Catalysts by Ab Initio Metadynamics A Urakawa, M Iannuzzi, J Hutter, A Baiker Chemistry–A European Journal 13 (24), 6828-6840, 2007 | 71 | 2007 |
| Raman spectra from ab initio molecular dynamics and its application to liquid S-methyloxirane S Luber, M Iannuzzi, J Hutter The Journal of Chemical Physics 141 (9), 094503, 2014 | 70 | 2014 |
| Comparative study of the nature of chemical bonding of corrugated graphene on Ru (0001) and Rh (111) by electronic structure calculations M Iannuzzi, J Hutter Surface Science 605 (15-16), 1360-1368, 2011 | 68 | 2011 |
Juerg HutterProfessor of Chemistry, University of ZurichVerified email at chem.uzh.ch
