| Neural network potentials for chemistry: concepts, applications and prospects S Käser, LI Vazquez-Salazar, M Meuwly, K Töpfer Digital Discovery 2 (1), 28-58, 2023 | 32 | 2023 |
| Structure, organization, and heterogeneity of water-containing deep eutectic solvents K Töpfer, A Pasti, A Das, SM Salehi, LI Vazquez-Salazar, D Rohrbach, ... Journal of the American Chemical Society 144 (31), 14170-14180, 2022 | 25 | 2022 |
| Low-index surfaces of CoSb3 skutterudites from first principles L Hammerschmidt, M Quennet, K Töpfer, B Paulus Surface Science 637, 124-131, 2015 | 15 | 2015 |
| Double proton transfer in hydrated formic acid dimer: Interplay of spatial symmetry and solvent-generated force on reactivity K Töpfer, S Käser, M Meuwly Physical Chemistry Chemical Physics 24 (22), 13869-13882, 2022 | 9 | 2022 |
| The first HyDRA challenge for computational vibrational spectroscopy TL Fischer, M Bödecker, SM Schweer, J Dupont, V Lepère, ... Physical Chemistry Chemical Physics 25 (33), 22089-22102, 2023 | 7 | 2023 |
| First-Principle Investigations of the Interaction between CO and O2 with Group 11 Atoms on a Defect-Free MgO(001) Surface K Töpfer, JC Tremblay The Journal of Physical Chemistry A 122 (8), 2307-2317, 2018 | 7 | 2018 |
| PhysNet meets CHARMM: A framework for routine machine learning/molecular mechanics simulations K Song, S Käser, K Töpfer, LI Vazquez-Salazar, M Meuwly The Journal of Chemical Physics 159 (2), 2023 | 4 | 2023 |
| Molecular-level understanding of the rovibrational spectra of N2O in gaseous, supercritical, and liquid SF6 and Xe K Töpfer, D Koner, S Erramilli, LD Ziegler, M Meuwly The Journal of Chemical Physics 158 (14), 2023 | 4 | 2023 |
| Imaging Valence Electron Dynamics during Surface Diffusion K Töpfer, G Dixit, JC Tremblay The Journal of Physical Chemistry C 125 (34), 19032-19039, 2021 | 3 | 2021 |
| How surface reparation prevents catalytic oxidation of carbon monoxide on atomic gold at defective magnesium oxide surfaces K Töpfer, JC Tremblay Physical Chemistry Chemical Physics 18 (27), 18590-18597, 2016 | 3 | 2016 |
| Molecular Simulation for Atmospheric Reactions: Non-Equilibrium Dynamics, Roaming, and Glycolaldehyde Formation following Photoinduced Decomposition of syn-Acetaldehyde Oxide M Upadhyay, K Topfer, M Meuwly The Journal of Physical Chemistry Letters 15 (1), 90-96, 2023 | 2 | 2023 |
| Hydration dynamics and IR spectroscopy of 4-fluorophenol SM Salehi, S Käser, K Töpfer, P Diamantis, R Pfister, P Hamm, ... Physical Chemistry Chemical Physics 24 (42), 26046-26060, 2022 | 2 | 2022 |
| Energy transfers in a weakly coupled gas-surface system: The scattering of CO from MgO (001) K Töpfer, G Füchsel, JC Tremblay Surface Science 706, 121767, 2021 | 2 | 2021 |
| Theoretical investigations of the interaction between diatomic molecules and coinage metal atoms Y Qawasmeh, K Töpfer, T Serwatka, JC Tremblay, B Paulus Molecular Physics 119 (9), e1892224, 2021 | 1 | 2021 |
| SCN as a Local Probe of Protein Structural Dynamics S Aydin, SM Salehi, K Töpfer, M Meuwly arXiv preprint arXiv:2404.18879, 2024 | | 2024 |
| Molecular Simulation for Atmospheric Reaction Exploration and Discovery: Non-Equilibrium Dynamics, Roaming and Glycolaldehyde Formation Following Photo-Induced Decomposition of … M Upadhyay, K Töpfer, M Meuwly arXiv preprint arXiv:2307.02994, 2023 | | 2023 |
| Understanding the Interaction of CO and O2 with MgO (001) and Supported Metal Atoms: Towards Single-Atom Catalysis K Töpfer | | 2020 |
| Supplementary Information–HyDRA challenge S Käser, K Töpfer | | |
M MeuwlyUniversity of BaselVerified email at unibas.ch
