| Promoting transparency and reproducibility in enhanced molecular simulations Nature methods 16 (8), 670-673, 2019 | 695 | 2019 |
| An accurate and transferable machine learning potential for carbon P Rowe, VL Deringer, P Gasparotto, G Csányi, A Michaelides The Journal of Chemical Physics 153 (3), 2020 | 203 | 2020 |
| Anharmonic and quantum fluctuations in molecular crystals: A first-principles study of the stability of paracetamol M Rossi, P Gasparotto, M Ceriotti Physical review letters 117 (11), 115702, 2016 | 82 | 2016 |
| Recognizing molecular patterns by machine learning: An agnostic structural definition of the hydrogen bond P Gasparotto, M Ceriotti The Journal of chemical physics 141 (17), 2014 | 81 | 2014 |
| Probing defects and correlations in the hydrogen-bond network of ab initio water P Gasparotto, AA Hassanali, M Ceriotti Journal of chemical theory and computation 12 (4), 1953-1964, 2016 | 59 | 2016 |
| Using dimensionality reduction to analyze protein trajectories GA Tribello, P Gasparotto Frontiers in molecular biosciences 6, 46, 2019 | 58 | 2019 |
| Simulating the ghost: quantum dynamics of the solvated electron J Lan, V Kapil, P Gasparotto, M Ceriotti, M Iannuzzi, VV Rybkin Nature communications 12 (1), 766, 2021 | 54 | 2021 |
| 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 | 53 | 2018 |
| Identifying and tracking defects in dynamic supramolecular polymers P Gasparotto, D Bochicchio, M Ceriotti, GM Pavan The Journal of Physical Chemistry B 124 (3), 589-599, 2019 | 49 | 2019 |
| Atomic motif recognition in (bio) polymers: Benchmarks from the protein data bank BA Helfrecht, P Gasparotto, F Giberti, M Ceriotti Frontiers in molecular biosciences 6, 24, 2019 | 14 | 2019 |
| Kilohertz serial crystallography with the JUNGFRAU detector at a fourth-generation synchrotron source F Leonarski, J Nan, Z Matej, Q Bertrand, A Furrer, I Gorgisyan, M Bjelčić, ... IUCrJ 10 (6), 2023 | 10 | 2023 |
| Reconstructing the infrared spectrum of a peptide from representative conformers of the full canonical ensemble A Kotobi, L Schwob, GB Vonbun-Feldbauer, M Rossi, P Gasparotto, ... Communications chemistry 6 (1), 46, 2023 | 8 | 2023 |
| Mapping the Structure of Oxygen-Doped Wurtzite Aluminum Nitride Coatings from Ab Initio Random Structure Search and Experiments P Gasparotto, M Fischer, D Scopece, MO Liedke, M Butterling, A Wagner, ... ACS Applied Materials & Interfaces 13 (4), 5762-5771, 2021 | 7 | 2021 |
| Erratum:“An accurate and transferable machine learning potential for carbon”[J. Chem. Phys. 153, 034702 (2020)] P Rowe, VL Deringer, P Gasparotto, G Csányi, A Michaelides The Journal of Chemical Physics 156 (15), 2022 | 5 | 2022 |
| How do interfaces alter the dynamics of supercooled water? P Gasparotto, M Fitzner, SJ Cox, GC Sosso, A Michaelides Nanoscale 14 (11), 4254-4262, 2022 | 5 | 2022 |
| TORO Indexer: A PyTorch-Based Indexing Algorithm for kHz Serial Crystallography P Gasparotto, L Barba, HC Stadler, G Assmann, H Mendonça, A Ashton, ... | 4 | 2023 |
| Hydrascreen: A generalizable structure-based deep learning approach to drug discovery A Prat, H Abdel Aty, O Bastas, G Kamuntavičius, T Paquet, ... Journal of Chemical Information and Modeling, 2023 | 3 | 2023 |
| Using Data-Reduction Techniques to Analyze Biomolecular Trajectories GA Tribello, P Gasparotto Biomolecular Simulations: Methods and Protocols, XIV, 586, 2019 | 2 | 2019 |
| TORO Indexer: a PyTorch‐based indexing algorithm for kilohertz serial crystallography P Gasparotto, L Barba, HC Stadler, G Assmann, H Mendonça, AW Ashton, ... Journal of Applied Crystallography, 2024 | | 2024 |
| An accurate and transferable machine learning potential for carbon (voL 153, 034702, 2020) P Rowe, VLL Deringer, P Gasparotto, G Csanyi, A Michaelides JOURNAL OF CHEMICAL PHYSICS 156 (15), 2022 | | 2022 |
Michele CeriottiAssociate Professor at EPFL, Institute of Materials在 epfl.ch 的电子邮件经过验证
