| 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 | 2893 | 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), 2020 | 2399 | 2020 |
| Efficient Exploration of Reactive Potential Energy Surfaces<? format?> Using Car-Parrinello Molecular Dynamics M Iannuzzi, A Laio, M Parrinello Physical review letters 90 (23), 238302, 2003 | 945 | 2003 |
| Promoting transparency and reproducibility in enhanced molecular simulations Nature methods 16 (8), 670-673, 2019 | 772 | 2019 |
| Wiley Interdiscip J Hutter, M Iannuzzi, F Schiffmann, J VandeVondele Rev.: Comput. Mol. Sci 4 (1), 15-25, 2014 | 573 | 2014 |
| 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 | 255 | 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 | 214 | 2017 |
| Dynamics and control of active sites in hierarchically nanostructured cobalt phosphide/chalcogenide-based electrocatalysts for water splitting Y Zhao, N Dongfang, CA Triana, C Huang, R Erni, W Wan, J Li, D Stoian, ... Energy & Environmental Science 15 (2), 727-739, 2022 | 140 | 2022 |
| 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 | 135 | 2013 |
| Bifunctional single atom electrocatalysts: coordination–performance correlations and reaction pathways W Wan, CA Triana, J Lan, J Li, CS Allen, Y Zhao, M Iannuzzi, GR Patzke ACS nano 14 (10), 13279-13293, 2020 | 124 | 2020 |
| 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 | 123 | 2006 |
| 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 | 122 | 2013 |
| Density functional embedding for molecular systems M Iannuzzi, B Kirchner, J Hutter Chemical physics letters 421 (1-3), 16-20, 2006 | 115 | 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 | 101 | 2004 |
| Proton transfer in heterocycle crystals M Iannuzzi, M Parrinello Physical review letters 93 (2), 025901, 2004 | 98 | 2004 |
| 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), 2014 | 97 | 2014 |
| Inner-shell spectroscopy by the Gaussian and augmented plane wave method M Iannuzzi, J Hutter Physical Chemistry Chemical Physics 9 (13), 1599-1610, 2007 | 97 | 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 | 89 | 2004 |
| Modeling Electrified Pt(111)-Had/Water Interfaces from Ab Initio Molecular Dynamics JB Le, A Chen, L Li, JF Xiong, J Lan, YP Liu, M Iannuzzi, J Cheng Jacs Au 1 (5), 569-577, 2021 | 83 | 2021 |
| 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 |
Juerg HutterProfessor of Chemistry, University of Zurichایمیل تأیید شده در chem.uzh.ch