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About

Michele Parrinello is an Italian physicist particularly known for his work in molecular dynamics. Parrinello and Roberto Car were awarded the Dirac Medal of the International Centre for Theoretical Physics (ICTP) and the Sidney Fernbach Award in 2009 for their continuing development of the Car–Parrinello method, first proposed while working at SISSA in their seminal 1985 paper, "Unified Approach for Molecular Dynamics and Density-Functional Theory". They have continued to receive awards for this breakthrough, most recently the Dreyfus Prize in the Chemical Sciences and the 2021 Benjamin…

Most cited

880 papers in total

1981 · Journal of Applied Physics

Polymorphic transitions in single crystals: A new molecular dynamics method

20,849 citationsRead

2007 · The Journal of Chemical Physics

Canonical sampling through velocity rescaling

19,133 citationsRead

1985 · Physical Review Letters

Unified Approach for Molecular Dynamics and Density-Functional Theory

10,829 citationsRead

2005 · Computer Physics Communications

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

5,961 citationsRead

2002 · Proceedings of the National Academy of Sciences

Escaping free-energy minima

5,855 citationsRead

2007 · Physical Review Letters

Generalized Neural-Network Representation of High-Dimensional Potential-Energy Surfaces

5,165 citationsRead