Michele Parrinello

Joined

May 2023

Names

Michele Parrinello (Preferred)

Emails

****@iit.it (Confirmed)

Personal Links

Career & Education History

Principal Researcher

Istituto Italiano di Tecnologia, Genova (iit.it)

2021 – 2025

Advisors, Relations & Conflicts

No relations added

Expertise

No areas of expertise listed

Publications

DLGNet: Hyperedge Classification via a Directed Line Graph for Chemical Reactions
Stefano Fiorini, Stefano Coniglio, Michele Ciavotta, Pietro Morerio, Michele Parrinello, Alessio Del Bue
- Submitted to ICLR 2026
- Readers: Everyone
DLGNet: Hyperedge Classification through Directed Line Graphs for Chemical Reactions
Stefano Fiorini, Giulia M. Bovolenta, Stefano Coniglio, Michele Ciavotta, Pietro Morerio, Michele Parrinello, Alessio Del Bue
- Submitted to ICLR 2025
- Readers: Everyone
From Biased to Unbiased Dynamics: An Infinitesimal Generator Approach
Timothée Devergne, Vladimir R Kostic, Michele Parrinello, Massimiliano Pontil
- NeurIPS 2024 poster
- Readers: Everyone
Characterizing metastable states with the help of machine learning
Pietro Novelli, Luigi Bonati, Massimiliano Pontil, Michele Parrinello
- Published: 01 Jan 2022, Last Modified: 12 May 2023
- CoRR 2022
- Readers: Everyone
A metadynamics perspective on the reduction mechanism of the Pt(IV) asplatin prodrug
Fortuna Ponte, GiovanniMaria Piccini, Emilia Sicilia, Michele Parrinello
- Published: 01 Jan 2020, Last Modified: 12 May 2023
- J. Comput. Chem. 2020
- Readers: Everyone
A microscopic description of acid-base equilibrium
Emanuele Grifoni, GiovanniMaria Piccini, Michele Parrinello
- Published: 01 Jan 2019, Last Modified: 12 May 2023
- CoRR 2019
- Readers: Everyone
A chirality-based metrics for free-energy calculations in biomolecular systems
Adriana Pietropaolo, Davide Branduardi, Massimiliano Bonomi, Michele Parrinello
- Published: 01 Jan 2011, Last Modified: 12 May 2023
- J. Comput. Chem. 2011
- Readers: Everyone
The delta-thermostat: selective normal-modes excitation by colored-noise Langevin dynamics
Michele Ceriotti, Michele Parrinello
- Published: 01 Jan 2010, Last Modified: 12 May 2023
- ICCS 2010
- Readers: Everyone
PLUMED: A portable plugin for free-energy calculations with molecular dynamics
Massimiliano Bonomi, Davide Branduardi, Giovanni Bussi, Carlo Camilloni, Davide Provasi, Paolo Raiteri, Davide Donadio, Fabrizio Marinelli, Fabio Pietrucci, Ricardo A. Broglia, Michele Parrinello
- Published: 01 Jan 2009, Last Modified: 12 May 2023
- Comput. Phys. Commun. 2009
- Readers: Everyone
Reconstructing the equilibrium Boltzmann distribution from well-tempered metadynamics
Massimiliano Bonomi, Alessandro Barducci, Michele Parrinello
- Published: 01 Jan 2009, Last Modified: 12 May 2023
- J. Comput. Chem. 2009
- Readers: Everyone

View all 15 publications

Co-Authors

View all 39 co-authors