Michele Parrinello

Italian Institute of Technology — Italy

Physics and Astronomy · Physical Sciences

154h-index147.3kcitations916works9.42yr avg
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Research Topics

Spectroscopy and Quantum Chemical Studies(212), Advanced Chemical Physics Studies(208), Protein Structure and Dynamics(135), Quantum, superfluid, helium dynamics(89), Theoretical and Computational Physics(84)

Publications916 total

Electrochemical potential-driven water dynamics control CO2 electroreduction at the Ag/H2O interface
Nature Communications·2025· 4 citedOpen Access
Nitrogen adsorption and dissociation on flat and stepped Fe(110) surfaces
Journal of Catalysis·2025
The Interaction of Hydrogen with Iron under High Pressure and Temperature
2025
Committors without Descriptors
arXiv (Cornell University)·2025Open Access
Fast and Fourier features for transfer learning of interatomic potentials
npj Computational Materials·2025· 7 citedOpen Access
Exploring Lithium Diffusion in LiF with Machine Learning Potentials: From Point Defects to Collective Ring Diffusion
2025· 1 citedOpen Access
No Time for Nitrides: How Cobalt Alloying Promotes Iron Catalysts for Ammonia Decomposition
ACS Catalysis·2025· 2 citedOpen Access
Weighted active space protocol for multireference machine-learned potentials
Proceedings of the National Academy of Sciences·2025· 5 citedOpen Access
Theory Meets Experiment in Ammonia Decomposition on Li14Cr2N8O: From Order to Disorder Under Reaction Conditions
2025Open Access
The seeds of the future are in the present: A blind exploration of metastable states
arXiv (Cornell University)·2025Open Access
Coordinated Residue Motions at the Enzyme–Substrate Interface Promote DNA Translocation in Polymerases
Journal of the American Chemical Society·2025· 2 citedOpen Access
No Time for Nitrides: How Cobalt Alloying Promotes Iron Catalysts for Ammonia Decomposition
2025Open Access
Electrochemical Potential-Driven Water Dynamics Control CO2 Electroreduction at the Ag/H2O Interface
2025· 1 citedOpen Access
A Machine Learning-Driven, Probability-Based Approach to Enzyme Catalysis
ACS Catalysis·2025· 9 cited
Fast and Fourier Features for Transfer Learning of Interatomic Potentials
arXiv (Cornell University)·2025Open Access
Everything everywhere all at once: a probability-based enhanced sampling approach to rare events
Nature Computational Science·2025· 13 cited
The need to implement FAIR principles in biomolecular simulations
Nature Methods·2025· 38 citedOpen Access
A Machine Learning-Driven, Probability-Based Approach to Enzyme Catalysis
2025Open Access
The role of fluctuations in the nucleation process
arXiv (Cornell University)·2025· 1 citedOpen Access
Slow dynamical modes from static averages
The Journal of Chemical Physics·2025· 4 cited
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Frequent Co-authors

Giovanni Bussi(8), Alessandro Laio(7), Jürg Hutter(7), Dominik Marx(5), Mark E. Tuckerman(5), Francesco Luigi Gervasio(5), Pratyush Tiwary(5), Michiel Sprik(5), A. Rahman(4), Roberto Car(4), Matthias Krack(4), Massimiliano Bonomi(4), Davide Donadio(3), Fawzi Mohamed(3), Alessandro Barducci(3), Davide Branduardi(3), Paolo Raiteri(3), Vittorio Limongelli(3), Kari Laasonen(3), Thomas D. Kühne(3)