Michele Parrinello
ETH Zurich
2 papers in the Anchorcite directory, published between 1981 and 2007, cited 39,959 times in total.
ORCID profileResearch topics
- Protein Structure and Dynamics · 2 papers
- Enzyme Structure and Function · 1 paper
- Microstructure and mechanical properties · 1 paper
- Spectroscopy and Quantum Chemical Studies · 1 paper
- Theoretical and Computational Physics · 1 paper
Frequent co-authors
- A. Rahman · 1 paper
- Giovanni Bussi · 1 paper
- Davide Donadio · 1 paper
Papers
- Polymorphic transitions in single crystals: A new molecular dynamics methodJournal of Applied Physics · 1981 · 20,838 citations
A new Lagrangian formulation is introduced. It can be used to make molecular dynamics (MD) calculations on systems under the most general, externally applied, conditions of stress. In this formulation the MD cell shape and size can change according to…
- Canonical sampling through velocity rescalingThe Journal of Chemical Physics · 2007 · 19,121 citations
The authors present a new molecular dynamics algorithm for sampling the canonical distribution. In this approach the velocities of all the particles are rescaled by a properly chosen random factor. The algorithm is formally justified and it is shown that,…
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