Concepedia

Metadynamics

Metadynamics is a computational method in molecular dynamics simulations that enhances conformational sampling by iteratively biasing selected collective variables with a history-dependent potential to accelerate exploration of free energy landscapes.

633

Publications

45.1K

Citations

1.7K

Authors

671

Institutions

Publications per year

2017–2026

315

Parents

Publications

633

Well-Tempered Metadynamics: A Smoothly Converging and Tunable Free-Energy Method

Alessandro Barducci, Giovanni Bussi, Michele Parrinello · Physical Review Letters · 2008 · 3.3K citations · Full text

, , +15

Metadynamics: a method to simulate rare events and reconstruct the free energy in biophysics, chemistry and material science

Alessandro Laio, Francesco Luigi Gervasio · Reports on Progress in Physics · 2008 · 1.6K citations

, , +15

Metadynamics

Alessandro Barducci, Massimiliano Bonomi, Michele Parrinello · Wiley Interdisciplinary Reviews Computational Molecular Science · 2011 · 1.2K citations · Full text

, , +13

Using collective variables to drive molecular dynamics simulations

Giacomo Fiorin, Michael L. Klein, Jérôme Hénin · Molecular Physics · 2013 · 1.1K citations · Full text

, , +13

Enhancing Important Fluctuations: Rare Events and Metadynamics from a Conceptual Viewpoint

Ómar Valsson, Pratyush Tiwary, Michele Parrinello · Annual Review of Physical Chemistry · 2016 · 694 citations · Full text

, , +12

1–5 of 633

Authors

1.7K

  1. MP
    Michele Parrinello

    ETH Zurich, Switzerland

    69 publications · 15.6K citations

    49

    h-index

  2. AL
    Alessandro Laio

    Scuola Internazionale Superiore di Studi Avanzati, Italy

    20 publications · 4.7K citations

    17

    h-index

  3. PT
    Pratyush Tiwary

    University of Maryland, College Park, United States

    17 publications · 3.3K citations

    16

    h-index

  4. JP
    Jim Pfaendtner

    University of Washington, United States

    15 publications · 842 citations

    15

    h-index

  5. FL
    Francesco Luigi Gervasio

    University College London, United Kingdom

    14 publications · 4.2K citations

    13

    h-index

1–5 of 1.7K

Institutions

671

  1. ETH Zurich

    Zurich, Switzerland

    53 h-index

    215 publications

    44.5K citations

  2. Università della Svizzera italiana

    Lugano, Switzerland

    41 h-index

    117 publications

    16.4K citations

  3. Scuola Internazionale Superiore di Studi Avanzati

    Trieste, Italy

    25 h-index

    64 publications

    10.2K citations

  4. Centre National de la Recherche Scientifique

    Paris, France

    24 h-index

    90 publications

    5.6K citations

  5. University College London

    London, United Kingdom

    18 h-index

    51 publications

    1.9K citations

  6. Italian Institute of Technology

    Genoa, Italy

    18 h-index

    26 publications

    2K citations

  7. University of Chicago

    Chicago, United States

    16 h-index

    36 publications

    3K citations

  8. University of Washington

    Seattle, United States

    16 h-index

    43 publications

    2K citations

1–8 of 671

Venues

  1. Journal of Chemical Theory and Computation

    JCTC · 97 publications · 5.7K citations

    44

    h-index

  2. The Journal of Chemical Physics

    64 publications · 4.7K citations

    35

    h-index

  3. The Journal of Physical Chemistry B

    56 publications · 4.3K citations

    30

    h-index

  4. Journal of the American Chemical Society

    JACS · 27 publications · 1.9K citations

    24

    h-index

  5. The Journal of Physical Chemistry C

    23 publications · 817 citations

    16

    h-index

1–5