D-Index & Metrics Best Publications
Michele Parrinello

Michele Parrinello

Chemistry
Switzerland
2023
Materials Science
Switzerland
2023

D-Index & Metrics D-index (Discipline H-index) only includes papers and citation values for an examined discipline in contrast to General H-index which accounts for publications across all disciplines.

Discipline name D-index D-index (Discipline H-index) only includes papers and citation values for an examined discipline in contrast to General H-index which accounts for publications across all disciplines. Citations Publications World Ranking National Ranking
Materials Science D-index 131 Citations 74,185 518 World Ranking 159 National Ranking 4
Chemistry D-index 143 Citations 104,031 592 World Ranking 83 National Ranking 3
Physics D-index 148 Citations 102,850 394 World Ranking 230 National Ranking 5

Research.com Recognitions

Awards & Achievements

2023 - Research.com Materials Science in Switzerland Leader Award

2023 - Research.com Chemistry in Switzerland Leader Award

2023 - 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 - Member of the European Academy of Sciences

2004 - Fellow of the Royal Society, United Kingdom

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

What is he best known for?

The fields of study he is best known for:

  • Quantum mechanics
  • Organic chemistry
  • Molecule

His scientific interests lie mostly in Statistical physics, Molecular dynamics, Metadynamics, Computational chemistry and Chemical physics. His work deals with themes such as Sampling, Thermostat, Limit and Stochastic process, which intersect with Statistical physics. His Molecular dynamics study incorporates themes from Molecule, Ab initio quantum chemistry methods, Car–Parrinello molecular dynamics, Molecular physics and Ab initio.

In his research on the topic of Metadynamics, Energy is strongly related with Function. His Computational chemistry research is multidisciplinary, relying on both Benzamidine, Crystallography and Ligand. His Chemical physics research includes themes of Silicon, Solvation, Physical chemistry, Hydrogen bond and Proton.

His most cited work include:

  • Polymorphic transitions in single crystals: A new molecular dynamics method (10065 citations)
  • Canonical sampling through velocity rescaling (8017 citations)
  • Unified Approach for Molecular Dynamics and Density-Functional Theory (7937 citations)

What are the main themes of his work throughout his whole career to date?

The scientist’s investigation covers issues in Molecular dynamics, Metadynamics, Chemical physics, Statistical physics and Computational chemistry. His Molecular dynamics study integrates concerns from other disciplines, such as Nucleation, Crystallography, Molecular physics, Ab initio and Molecule. While the research belongs to areas of Ab initio, he spends his time largely on the problem of Density functional theory, intersecting his research to questions surrounding Electronic structure.

Michele Parrinello has included themes like Chemical reaction, Energy landscape, Metastability, Linear discriminant analysis and Collective variables in his Metadynamics study. His work focuses on many connections between Chemical physics and other disciplines, such as Hydrogen bond, that overlap with his field of interest in Proton. Michele Parrinello interconnects Sampling and Energy in the investigation of issues within Statistical physics.

He most often published in these fields:

  • Molecular dynamics (49.77%)
  • Metadynamics (51.16%)
  • Chemical physics (32.87%)

What were the highlights of his more recent work (between 2017-2021)?

  • Metadynamics (51.16%)
  • Statistical physics (32.52%)
  • Molecular dynamics (49.77%)

In recent papers he was focusing on the following fields of study:

Metadynamics, Statistical physics, Molecular dynamics, Chemical physics and Sampling are his primary areas of study. Michele Parrinello has researched Metadynamics in several fields, including Chemical reaction, Metastability, Biological system, Linear discriminant analysis and Collective variables. His Statistical physics study combines topics in areas such as Physical system, Energy, Degrees of freedom and Force field.

His Molecular dynamics research integrates issues from Phase diagram, Nucleation, Supersaturation, Ab initio and Crystal. His studies deal with areas such as Crystallization, Phase, Aqueous solution and Constant as well as Chemical physics. In his study, Algorithm is inextricably linked to Rare events, which falls within the broad field of Sampling.

Between 2017 and 2021, his most popular works were:

  • Collective Variables from Local Fluctuations (69 citations)
  • Collective Variables from Local Fluctuations (69 citations)
  • Silicon Liquid Structure and Crystal Nucleation from Ab Initio Deep Metadynamics. (62 citations)

In his most recent research, the most cited papers focused on:

  • Quantum mechanics
  • Organic chemistry
  • Electron

His primary scientific interests are in Metadynamics, Statistical physics, Molecular dynamics, Sampling and Nucleation. His study in Metadynamics is interdisciplinary in nature, drawing from both Ligand, Linear discriminant analysis, Molecular simulation, Focus and Collective variables. His Statistical physics research incorporates themes from Independent component analysis, Metastability, Physical system, Energy and Recurrence relation.

The various areas that Michele Parrinello examines in his Molecular dynamics study include Crystallization, Methanol, Solvent, Phase diagram and Ab initio. His studies in Sampling integrate themes in fields like Probability density function, Rare events, Artificial neural network, Statics and Gaussian. The concepts of his Nucleation study are interwoven with issues in Chemical physics, Perovskite and Iodide.

This overview was generated by a machine learning system which analysed the scientist’s body of work. If you have any feedback, you can contact us here.

Best Publications

Polymorphic transitions in single crystals: A new molecular dynamics method

M. Parrinello;A. Rahman.
Journal of Applied Physics (1981)

14231 Citations

Unified Approach for Molecular Dynamics and Density-Functional Theory

R. Car;M. Parrinello.
Physical Review Letters (1985)

13317 Citations

Escaping free-energy minima

Alessandro Laio;Michele Parrinello.
Proceedings of the National Academy of Sciences of the United States of America (2002)

4995 Citations

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

Joost VandeVondele;Matthias Krack;Fawzi Mohamed;Michele Parrinello.
Computer Physics Communications (2005)

4133 Citations

Crystal structure and pair potentials: A molecular-dynamics study

M. Parrinello;A. Rahman.
Physical Review Letters (1980)

3328 Citations

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

Jörg Behler;Michele Parrinello.
Physical Review Letters (2007)

2369 Citations

The nature of the hydrated excess proton in water

Dominik Marx;Mark E. Tuckerman;Jürg Hutter;Michele Parrinello.
Nature (1999)

1817 Citations

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

Alessandro Barducci;Giovanni Bussi;Michele Parrinello.
Physical Review Letters (2008)

1542 Citations

Canonical sampling through velocity rescaling

Giovanni Bussi;Davide Donadio;Michele Parrinello.
Bulletin of the American Physical Society (2008)

1437 Citations

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

Massimiliano Bonomi;Davide Branduardi;Giovanni Bussi;Carlo Camilloni.
Computer Physics Communications (2009)

1433 Citations

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