| i-PI 2.0: A universal force engine for advanced molecular simulations V Kapil, M Rossi, O Marsalek, R Petraglia, Y Litman, T Spura, B Cheng, ... Computer Physics Communications 236, 214-223, 2019 | 282 | 2019 |
| Deep water formation, the subpolar gyre, and the meridional overturning circulation in the subpolar North Atlantic M Rhein, D Kieke, S Hüttl-Kabus, A Roessler, C Mertens, R Meissner, ... Deep Sea Research Part II: Topical Studies in Oceanography 58 (17-18), 1819-1832, 2011 | 175 | 2011 |
| Ab initio derived force‐field parameters for molecular dynamics simulations of deprotonated amorphous‐SiO2/water interfaces A Butenuth, G Moras, J Schneider, M Koleini, S Köppen, R Meissner, ... physica status solidi (b) 249 (2), 292-305, 2012 | 80 | 2012 |
| Recognizing local and global structural motifs at the atomic scale P Gasparotto, RH Meißner, M Ceriotti Journal of chemical theory and computation 14 (2), 486-498, 2018 | 51 | 2018 |
| In silico screening of modulators of magnesium dissolution C Feiler, D Mei, B Vaghefinazari, T Würger, RH Meißner, ... Corrosion science 163, 108245, 2020 | 49 | 2020 |
| A first-principles analysis of the charge transfer in magnesium corrosion T Würger, C Feiler, GB Vonbun-Feldbauer, ML Zheludkevich, RH Meißner Scientific reports 10 (1), 15006, 2020 | 43 | 2020 |
| ATR-FTIR in Kretschmann configuration integrated with electrochemical cell as in situ interfacial sensitive tool to study corrosion inhibitors for magnesium substrates LI Fockaert, T Würger, R Unbehau, B Boelen, RH Meißner, SV Lamaka, ... Electrochimica Acta 345, 136166, 2020 | 42 | 2020 |
| Data science based Mg corrosion engineering T Würger, C Feiler, F Musil, GBV Feldbauer, D Höche, SV Lamaka, ... Frontiers in Materials 6, 446549, 2019 | 40 | 2019 |
| Computational prediction of circular dichroism spectra and quantification of helicity loss upon peptide adsorption on silica RH Meißner, J Schneider, P Schiffels, L Colombi Ciacchi Langmuir 30 (12), 3487-3494, 2014 | 40 | 2014 |
| Estimation of the free energy of adsorption of a polypeptide on amorphous SiO 2 from molecular dynamics simulations and force spectroscopy experiments RH Meißner, G Wei, LC Ciacchi Soft Matter 11 (31), 6254-6265, 2015 | 37 | 2015 |
| Exploring key ionic interactions for magnesium degradation in simulated body fluid–a data-driven approach B Zeller-Plumhoff, M Gile, M Priebe, H Slominska, B Boll, B Wiese, ... Corrosion science 182, 109272, 2021 | 31 | 2021 |
| Osmotic Transport at the Aqueous Graphene and hBN Interfaces: Scaling Laws from a Unified, First-Principles Description L Joly, RH Meißner, M Iannuzzi, G Tocci ACS nano 15 (9), 15249-15258, 2021 | 22 | 2021 |
| Molecular modeling of microporous structures of carbide-derived carbon-based supercapacitors S Schweizer, R Meißner, M Amkreutz, K Thiel, P Schiffels, J Landwehr, ... The Journal of Physical Chemistry C 121 (13), 7221-7231, 2017 | 22 | 2017 |
| A Molecular Simulation Approach to Bond Reorganization in Epoxy Resins: From Curing to Deformation and Fracture J Konrad, RH Meißner, E Bitzek, D Zahn ACS Polymers Au 1 (3), 165-174, 2021 | 20 | 2021 |
| ELECTRODE: An electrochemistry package for atomistic simulations LJV Ahrens-Iwers, M Janssen, SR Tee, RH Meißner The Journal of Chemical Physics 157 (8), 2022 | 19 | 2022 |
| Predicting the inhibition efficiencies of magnesium dissolution modulators using sparse machine learning models EJ Schiessler, T Würger, SV Lamaka, RH Meißner, CJ Cyron, ... Npj Computational Materials 7 (1), 193, 2021 | 19 | 2021 |
| Weak adhesion detection–Enhancing the analysis of vibroacoustic modulation by machine learning B Boll, E Willmann, B Fiedler, RH Meißner Composite Structures 273, 114233, 2021 | 19 | 2021 |
| Combined computational and experimental study on the influence of surface chemistry of carbon-based electrodes on electrode–electrolyte interactions in supercapacitors S Schweizer, J Landwehr, BJM Etzold, RH Meißner, M Amkreutz, ... The Journal of Physical Chemistry C 123 (5), 2716-2727, 2019 | 19 | 2019 |
| Exploring structure-property relationships in magnesium dissolution modulators T Würger, D Mei, B Vaghefinazari, DA Winkler, SV Lamaka, ... npj Materials degradation 5 (1), 2, 2021 | 17 | 2021 |
| Molecular simulation of thermosetting polymer hardening: Reactive events enabled by controlled topology transfer RH Meißner, J Konrad, B Boll, B Fiedler, D Zahn Macromolecules 53 (22), 9698-9705, 2020 | 17 | 2020 |
Tim WürgerHelmholtz-Zentrum HereonVerificeret mail på hereon.de
