| Data-driven collective variables for enhanced sampling L Bonati, V Rizzi, M Parrinello The Journal of Physical Chemistry Letters 11 (8), 2998-3004, 2020 | 76 | 2020 |
| The role of water in host-guest interaction V Rizzi, L Bonati, N Ansari, M Parrinello Nature Communications 12 (1), 93, 2021 | 32 | 2021 |
| The onset of dehydrogenation in solid ammonia borane: An ab initio metadynamics study V Rizzi, D Polino, E Sicilia, N Russo, M Parrinello Angewandte Chemie International Edition 58 (12), 3976-3980, 2019 | 32 | 2019 |
| Path integral molecular dynamics for bosons B Hirshberg, V Rizzi, M Parrinello Proceedings of the National Academy of Sciences 116 (43), 21445-21449, 2019 | 30 | 2019 |
| Electron-phonon thermalization in a scalable method for real-time quantum dynamics V Rizzi, TN Todorov, JJ Kohanoff, AA Correa Physical Review B 93 (2), 024306, 2016 | 30 | 2016 |
| Collective variables for the study of crystallisation T Karmakar, M Invernizzi, V Rizzi, M Parrinello Molecular Physics 119 (19-20), e1893848, 2021 | 19 | 2021 |
| Blind search for complex chemical pathways using harmonic linear discriminant analysis V Rizzi, D Mendels, E Sicilia, M Parrinello Journal of chemical theory and computation 15 (8), 4507-4515, 2019 | 18 | 2019 |
| Water regulates the residence time of Benzamidine in Trypsin N Ansari, V Rizzi, M Parrinello Nature Communications 13, 5438, 2022 | 10 | 2022 |
| Water-triggered, irreversible conformational change of SARS-CoV-2 main protease on passing from the solid state to aqueous solution N Ansari, V Rizzi, P Carloni, M Parrinello Journal of the American Chemical Society 143 (33), 12930-12934, 2021 | 9 | 2021 |
| Discover, Sample and Refine: Exploring Chemistry with Enhanced Sampling Techniques U Raucci, V Rizzi, M Parrinello The Journal of Physical Chemistry Letters 13 (6), 1424-1430, 2022 | 6 | 2022 |
| Inelastic electron injection in a water chain V Rizzi, TN Todorov, JJ Kohanoff Scientific Reports 7 (1), 1-9, 2017 | 6 | 2017 |
| Rare event kinetics from adaptive bias enhanced sampling D Ray, N Ansari, V Rizzi, M Invernizzi, M Parrinello Journal of Chemical Theory and Computation 18 (11), 6500-6509, 2022 | 5 | 2022 |
| Real-Time Quantum Dynamics of Electron–Phonon Systems V Rizzi Springer, 2018 | 2 | 2018 |
| OneOPES, a combined enhanced sampling method to rule them all V Rizzi, S Aureli, N Ansari, FL Gervasio bioRxiv, 2023.03. 06.531337, 2023 | | 2023 |
| ECEID Validation V Rizzi, V Rizzi Real-Time Quantum Dynamics of Electron–Phonon Systems, 71-92, 2018 | | 2018 |
| Thermalization with ECEID V Rizzi, V Rizzi Real-Time Quantum Dynamics of Electron–Phonon Systems, 93-103, 2018 | | 2018 |
| Physical Motivation V Rizzi, V Rizzi Real-Time Quantum Dynamics of Electron–Phonon Systems, 9-22, 2018 | | 2018 |
| The ECEID Method V Rizzi, V Rizzi Real-Time Quantum Dynamics of Electron–Phonon Systems, 57-70, 2018 | | 2018 |
| Simulating Electrons and Phonons: Atomistic Methods V Rizzi, V Rizzi Real-Time Quantum Dynamics of Electron–Phonon Systems, 39-56, 2018 | | 2018 |
| Simulating Electrons and Phonons: Effective Temperature Methods V Rizzi, V Rizzi Real-Time Quantum Dynamics of Electron–Phonon Systems, 23-37, 2018 | | 2018 |
michele parrinelloDepartment of ChemistryVerified email at phys.chem.ethz.ch
