World's Best Scientists 2026 revealed!
Michele Parrinello

Michele Parrinello

Award Badge
Chemistry
Switzerland
2026
Award Badge
Physics
Switzerland
2026

D-Index & Metrics

Chemistry

D-Index
163
Citations
159464
World Ranking
86
National Ranking
3

Physics

D-Index
167
Citations
163084
World Ranking
157
National Ranking
3

Research.com Recognitions

  • 2026 - Research.com Chemistry in Switzerland Leader Award
  • 2026 - Research.com Physics in Switzerland Leader Award
  • 2025 - Research.com Chemistry in Switzerland Leader Award
  • 2025 - Research.com Physics in Switzerland Leader Award
  • 2022 - Research.com Chemistry in Switzerland Leader Award
  • 2022 - Research.com Physics in Switzerland Leader Award
  • 2020 - Benjamin Franklin Medal, Franklin Institute
  • 2012 - Fellow of the American Academy of Arts and Sciences
  • 2010 - Member of the National Academy of Sciences
  • 2004 - Fellow of the Royal Society, United Kingdom
  • 2004 - Member of the European Academy of Sciences
  • 1995 - Aneesur Rahman Prize for Computational Physics, American Physical Society
  • 1991 - Fellow of American Physical Society (APS) Citation For the development of novel and powerful methods for the simulation of molecular and fermionic systems

Overview

Michele Parrinello is affiliated with ETH Zurich in Switzerland. Their research work primarily spans the fields of Physics and Astronomy as well as Materials Science, with significant contributions in subfields such as Materials Chemistry, Molecular Biology, Atomic and Molecular Physics and Optics, Spectroscopy, and Statistical and Nonlinear Physics.

The scientist's research topics focus on Protein Structure and Dynamics, Spectroscopy and Quantum Chemical Studies, Machine Learning in Materials Science, Mass Spectrometry Techniques and Applications, Advanced Chemical Physics Studies, Theoretical and Computational Physics, and Ammonia Synthesis and Nitrogen Reduction.

Frequent publication venues for Michele Parrinello include:

  • arXiv (Cornell University)
  • Journal of Chemical Theory and Computation
  • Zenodo (CERN European Organization for Nuclear Research)
  • The Journal of Physical Chemistry Letters
  • ACS Catalysis

Notable papers authored or coauthored by Michele Parrinello include:

  • Rethinking Metadynamics: From Bias Potentials to Probability Distributions, 2020, The Journal of Physical Chemistry Letters
  • Deep learning the slow modes for rare events sampling, 2021, IRIS UNIMORE (University of Modena and Reggio Emilia)
  • Data-Driven Collective Variables for Enhanced Sampling, 2020, The Journal of Physical Chemistry Letters
  • Ab initio phase diagram and nucleation of gallium, 2020, Nature Communications
  • Using metadynamics to build neural network potentials for reactive events: the case of urea decomposition in water, 2021, Catalysis Today

Among frequent co-authors working alongside Michele Parrinello are:

  • Luigi Bonati
  • Enrico Trizio
  • Michele Invernizzi
  • Valerio Rizzi
  • Paolo Carloni

In recognition of their scientific contributions, Michele Parrinello has received several awards over the years, including:

  • Benjamin Franklin Medal, Franklin Institute, 2020
  • Fellow of the American Academy of Arts and Sciences, 2012
  • Member of the National Academy of Sciences, 2010
  • Fellow of the Royal Society, United Kingdom, 2004
  • Member of the European Academy of Sciences, 2004
  • Aneesur Rahman Prize for Computational Physics, American Physical Society, 1995
  • Fellow of American Physical Society (APS), 1991, with a citation for the development of novel and powerful methods for the simulation of molecular and fermionic systems

Best Publications

  • Polymorphic transitions in single crystals: A new molecular dynamics method

    M. Parrinello;A. Rahman

  • Canonical sampling through velocity rescaling

    Giovanni Bussi;Davide Donadio;Michele Parrinello

  • Unified Approach for Molecular Dynamics and Density-Functional Theory

    R. Car;M. Parrinello

  • Escaping free-energy minima

    Alessandro Laio;Michele Parrinello

  • QUICKSTEP: Fast and accurate density functional calculations using a mixed Gaussian and plane waves approach

    Joost VandeVondele;Matthias Krack;Fawzi Mohamed;Michele Parrinello

  • Generalized neural-network representation of high-dimensional potential-energy surfaces.

    Jörg Behler;Michele Parrinello

  • Crystal structure and pair potentials: A molecular-dynamics study

    M. Parrinello;A. Rahman

  • Well-tempered metadynamics: a smoothly-converging and tunable free-energy method

    Alessandro Barducci;Giovanni Bussi;Michele Parrinello

  • The nature of the hydrated excess proton in water

    Dominik Marx;Mark E. Tuckerman;Jürg Hutter;Michele Parrinello

  • PLUMED: a portable plugin for free-energy calculations with molecular dynamics

    Massimiliano Bonomi;Davide Branduardi;Giovanni Bussi;Carlo Camilloni

  • A hybrid Gaussian and plane wave density functional scheme

    Gerald Lippert;Jurg Hutter;Michele Parrinello

  • Promoting transparency and reproducibility in enhanced molecular simulations

    M. Bonomi;M. Bonomi;B. Giovanni;C. Camilloni;G.A. Tribello

  • Metadynamics

    Unknown

  • Ab initio molecular dynamics simulation of the solvation and transport of hydronium and hydroxyl ions in water

    M. Tuckerman;K. Laasonen;K. Laasonen;M. Sprik;M. Parrinello

  • Predicting crystal structures: the Parrinello-Rahman method revisited.

    R. Martoňák;A. Laio;Michele Parrinello

  • Efficient exploration of reactive potential energy surfaces using Car-Parrinello molecular dynamics.

    Marcella Iannuzzi;Alessandro Laio;Michele Parrinello

  • Autoionization in Liquid Water

    Phillip L. Geissler;Christoph Dellago;Christoph Dellago;David Chandler;Jürg Hutter

  • Strain fluctuations and elastic constants

    Unknown

  • On the quantum nature of the shared proton in hydrogen bonds

    Mark E. Tuckerman;Dominik Marx;Michael L. Klein;Michele Parrinello

  • Study of an F center in molten KCl

    M. Parrinello;A. Rahman

  • ‘‘Ab initio’’ liquid water

    Kari Laasonen;M. Sprik;M. Parrinello;Roberto Car

  • Water Molecule Dipole in the Gas and in the Liquid Phase

    Pier Luigi Silvestrelli;Michele Parrinello

Frequent Co-Authors

Roberto Car
Roberto Car Princeton University
Marco Bernasconi
Marco Bernasconi University of Milano-Bicocca
Francesco Luigi Gervasio
Francesco Luigi Gervasio University College London
Erio Tosatti
Erio Tosatti International School for Advanced Studies
Jürg Hutter
Jürg Hutter University of Zurich
Wanda Andreoni
Wanda Andreoni École Polytechnique Fédérale de Lausanne
Dominik Marx
Dominik Marx Ruhr University Bochum
Paolo Carloni
Paolo Carloni Forschungszentrum Jülich
Alessandro Laio
Alessandro Laio International School for Advanced Studies
Michele Ceriotti
Michele Ceriotti École Polytechnique Fédérale de Lausanne

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