Promoting transparency and reproducibility in enhanced molecular simulations M Bonomi, G Bussi, C Camilloni, GA Tribello, P Banáš, A Barducci, ... Nature methods 16 (8), 670-673, 2019 | 122 | 2019 |

Molecular dynamics simulations of liquid silica crystallization H Niu, PM Piaggi, M Invernizzi, M Parrinello Proceedings of the National Academy of Sciences 115 (21), 5348-5352, 2018 | 43 | 2018 |

Superlubric-pinned transition in sliding incommensurate colloidal monolayers D Mandelli, A Vanossi, M Invernizzi, S Paronuzzi, N Manini, E Tosatti Physical Review B 92 (13), 134306, 2015 | 28 | 2015 |

Rethinking metadynamics: from bias potentials to probability distributions M Invernizzi, M Parrinello The journal of physical chemistry letters 11 (7), 2731-2736, 2020 | 20 | 2020 |

Coarse graining from variationally enhanced sampling applied to the Ginzburg–Landau model M Invernizzi, O Valsson, M Parrinello Proceedings of the National Academy of Sciences 114 (13), 3370-3374, 2017 | 19 | 2017 |

Enhanced sampling of transition states J Debnath, M Invernizzi, M Parrinello Journal of chemical theory and computation 15 (4), 2454-2459, 2019 | 15 | 2019 |

Making the best of a bad situation: A multiscale approach to free energy calculation M Invernizzi, M Parrinello Journal of chemical theory and computation 15 (4), 2187-2194, 2019 | 12 | 2019 |

Path integral molecular dynamics for fermions: Alleviating the sign problem with the Bogoliubov inequality B Hirshberg, M Invernizzi, M Parrinello The Journal of chemical physics 152 (17), 171102, 2020 | 10 | 2020 |

Unified approach to enhanced sampling M Invernizzi, PM Piaggi, M Parrinello Physical Review X 10 (4), 041034, 2020 | 8 | 2020 |

Attenuating the fermion sign problem in path integral Monte Carlo simulations using the Bogoliubov inequality and thermodynamic integration T Dornheim, M Invernizzi, J Vorberger, B Hirshberg The Journal of Chemical Physics 153 (23), 234104, 2020 | 4 | 2020 |

OPES: On-the-fly Probability Enhanced Sampling Method M Invernizzi arXiv preprint arXiv:2101.06991, 2021 | | 2021 |

Correction to “Rethinking Metadynamics: From Bias Potentials to Probability Distributions” M Invernizzi, M Parrinello The Journal of Physical Chemistry Letters 12 (2), 912-912, 2021 | | 2021 |

On-the-fly Probability Enhanced Sampling M Invernizzi ETH Zurich, 2021 | | 2021 |

Multithermal-multibaric ensembles from collective-variables-based enhanced sampling methods P Piaggi, M Invernizzi, T Gartner, H Niu, M Parrinello Bulletin of the American Physical Society, 2021 | | 2021 |

Collective Variables for the Study of Crystallization T Karmakar, M Invernizzi, V Rizzi, M Parrinello arXiv preprint arXiv:2101.03150, 2021 | | 2021 |

Molecular Dynamics Simulations of Two-Step Process Enable Room-Temperature Synthesis of α-FAPbI3 P Ahlawat, H Lu, A Ummadisingu, H Niu, M Invernizzi, SM Zakeeruddin, ... ChemRxiv, 2020 | | 2020 |

Reweighted-Probability Enhanced Sampling: a reversed perspective on metadynamics M Invernizzi, M Parrinello Challenges in Large Scale Biomolecular Simulation 2019: Bridging Theory and …, 2019 | | 2019 |