| Diffusion under confinement: Hydrodynamic finite-size effects in simulation P Simonnin, B Noetinger, C Nieto-Draghi, V Marry, B Rotenberg Journal of chemical theory and computation 13 (6), 2881-2889, 2017 | 93 | 2017 |
| Mineral-and ion-specific effects at clay–water interfaces: structure, diffusion, and hydrodynamics P Simonnin, V Marry, B Noetinger, C Nieto-Draghi, B Rotenberg The Journal of Physical Chemistry C 122 (32), 18484-18492, 2018 | 43 | 2018 |
| Phase Transition and Liquid-like Superionic Conduction in Ag2S P Simonnin, M Sassi, B Gilbert, L Charlet, KM Rosso The Journal of Physical Chemistry C 124 (18), 10150-10158, 2020 | 12 | 2020 |
| Atomic diffusion, segregation, and grain boundary migration in nickel-based alloys from molecular dynamics simulations P Simonnin, DK Schreiber, BP Uberuaga, KM Rosso Materials Today Communications 35, 105768, 2023 | 8 | 2023 |
| Predicting the temperature dependence of self-diffusion behavior in Ni-Cr alloys via molecular dynamics P Simonnin, DK Schreiber, KM Rosso Materials Today Communications 26, 101982, 2021 | 7 | 2021 |
| The effect of Cr alloying on defect migration at Ni grain boundaries BP Uberuaga, P Simonnin, KM Rosso, DK Schreiber, M Asta Journal of Materials Science 57 (23), 10499-10516, 2022 | 6 | 2022 |
| Electric Field Effects on Water and Ion Structure and Diffusion at the Orthoclase (001)–Water Interface SN Kerisit, PG Simonnin, M Sassi, KM Rosso The Journal of Physical Chemistry C 127 (15), 7389-7401, 2023 | 4 | 2023 |
| Structure and Dynamics of Aqueous Electrolytes at Quartz (001) and (101) Surfaces PG Simonnin, SN Kerisit, E Nakouzi, TC Johnson, KM Rosso The Journal of Physical Chemistry C, 2024 | | 2024 |
| Directly resolving surface vs. lattice self-diffusion in iron at the nanoscale using in situ atom probe capabilities SD Taylor, AA Kohnert, SV Lambeets, KH Yano, EK Still, PG Simonnin, ... Materialia, 102078, 2024 | | 2024 |
| Revisiting Selenium Interactions with Pyrite: From Adsorption to Coprecipitation C Guida, V Ramothe, A Chappaz, P Simonnin, KM Rosso, RR Ding, ... ACS Earth and Space Chemistry 8 (1), 67-78, 2023 | | 2023 |
| Quantifying the Impact of Electric Fields on the Local Structure and Migration of Potassium Ions at the Orthoclase (001) Surface M Sassi, SN Kerisit, PG Simonnin, BA Legg, E Nakouzi, Y Zhu, ... The Journal of Physical Chemistry C 127 (32), 15757-15765, 2023 | | 2023 |
| Advances in Understanding the Dynamics of Electrical Polarization Response at Mineral/Water Interfaces KM Rosso, B Legg, Y Zhu, S Kerisit, E Nakouzi, P Simonnin, M Sassi, ... AGU Fall Meeting Abstracts 2022, B53B-06, 2022 | | 2022 |
| Ab initio modeling of H 2 S dissociative chemisorption on Ag (100) V Ramothe, L Charlet, B Gilbert, P Simonnin, M Sassi, KM Rosso Physical Chemistry Chemical Physics 24 (31), 18751-18763, 2022 | | 2022 |
| Transverse Electron Exchange Pathways in Nontronite from First Principles P Simonnin, H Dong, A Neumann, KM Rosso Goldschmidt2021• Virtual• 4-9 July, 2021 | | 2021 |
| Reduction of Selenate in contact with Pyrite [100]: a DFT ab-initio study V Ramothe, P Simonnin, B Gilbert, KM Rosso, L Charlet Goldschmidt2021• Virtual• 4-9 July, 2021 | | 2021 |
| Transport de fluides dans les nanopores: des modèles moléculaires aux modèles continus P Simonnin Université Pierre et Marie Curie-Paris VI, 2017 | | 2017 |
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