Concepedia

Molecular Dynamics

Molecular Dynamics is a computational simulation method within the field of molecular modeling that describes the time-dependent behavior of molecular systems by numerically solving Newton’s equations of motion for atoms and molecules, enabling the study of structural, dynamic, and thermodynamic properties at the atomic level.

82.1K

Publications

5.8M

Citations

118.2K

Authors

9.5K

Institutions

Publications per year

2017–2026

21.1K

Variants

Molecular Dynamics Simulation

Parents

Children

Publications

82.1K

Projector augmented-wave method

Peter E. Blöchl · Physical review. B, Condensed matter · 1994 · 90.8K citations

, , +17

A short history of<i>SHELX</i>

George M. Sheldrick · Acta Crystallographica Section A Foundations of Crystallography · 2007 · 87.4K citations · Full text

, , +16

VMD: Visual molecular dynamics

William Humphrey, Andrew Dalke, Klaus Schulten · Journal of Molecular Graphics · 1996 · 66.6K citations

, , +12

<i>Ab initio</i>molecular dynamics for liquid metals

Georg Kresse, J. Häfner · Physical review. B, Condensed matter · 1993 · 44.9K citations

, , +17

Fast Parallel Algorithms for Short-Range Molecular Dynamics

Steven J. Plimpton · Journal of Computational Physics · 1995 · 44.6K citations

, , +10

1–5 of 82.1K

Authors

118.2K

  1. MP
    Michele Parrinello

    ETH Zurich, Switzerland

    263 publications · 106.8K citations

    109

    h-index

  2. ML
    Michael L. Klein

    University of Pennsylvania, United States

    286 publications · 76.5K citations

    87

    h-index

  3. WF
    Wilfred F. van Gunsteren

    ETH Zurich, Switzerland

    256 publications · 63.3K citations

    84

    h-index

  4. MK
    Martin Karplus

    Harvard University, United States

    181 publications · 61.5K citations

    84

    h-index

  5. JA
    J. Andrew McCammon

    University of California San Diego, United States

    266 publications · 29.3K citations

    83

    h-index

1–5 of 118.2K

Institutions

9.5K

  1. Centre National de la Recherche Scientifique

    Paris, France

    165 h-index

    10.3K publications

    575.6K citations

  2. University of Illinois Urbana-Champaign

    Urbana, United States

    149 h-index

    2.4K publications

    617.6K citations

  3. Stanford University

    Stanford, United States

    141 h-index

    1.7K publications

    242.5K citations

  4. University of California, Berkeley

    Berkeley, United States

    131 h-index

    1.8K publications

    176.5K citations

  5. Columbia University

    New York, United States

    125 h-index

    1.2K publications

    139.3K citations

  6. University of Cambridge

    Cambridge, United Kingdom

    123 h-index

    1.7K publications

    164.1K citations

  7. Massachusetts Institute of Technology

    Cambridge, United States

    122 h-index

    1.7K publications

    177K citations

  8. Los Alamos National Laboratory

    Los Alamos, United States

    121 h-index

    2.1K publications

    143.6K citations

1–8 of 9.5K

Venues

  1. The Journal of Chemical Physics

    10.8K publications · 852K citations

    289

    h-index

  2. Physical Review Letters

    PRL · 1.9K publications · 223K citations

    210

    h-index

  3. The Journal of Physical Chemistry B

    5.1K publications · 322.1K citations

    200

    h-index

  4. Journal of the American Chemical Society

    JACS · 1.9K publications · 199.7K citations

    176

    h-index

  5. Proceedings of the National Academy of Sciences

    PNAS · 816 publications · 113.4K citations

    174

    h-index

1–5