Concepedia

Classical Molecular Dynamics

Classical Molecular Dynamics is a computational simulation method within molecular dynamics that models atomic and molecular motion using classical mechanics, specifically Newton's equations of motion, to predict time-dependent behavior of many-body systems while distinguishing itself from quantum mechanical approaches by neglecting electronic structure and wavefunction evolution.

2.5K

Publications

155.6K

Citations

6.5K

Authors

1.7K

Institutions

Publications per year

2017–2026

695

Variants

Classical Md

Parents

Publications

2.5K

Scalable molecular dynamics with NAMD

J. C. Phillips, Rosemary Braun, Wei Wang et al. · Journal of Computational Chemistry · 2005 · 17.4K citations · Full text

, , +17

Routine Microsecond Molecular Dynamics Simulations with AMBER on GPUs. 2. Explicit Solvent Particle Mesh Ewald

Romelia Salomón–Ferrer, Andreas W. Götz, Duncan Poole et al. · Journal of Chemical Theory and Computation · 2013 · 3.6K citations

, , +16

Studies in Molecular Dynamics. I. General Method

B. J. Alder, T. E. Wainwright · The Journal of Chemical Physics · 1959 · 2.5K citations

, , +15

Molecular Dynamics Study of Liquid Water

Aneesur Rahman, Frank H. Stillinger · The Journal of Chemical Physics · 1971 · 1.4K citations

, , +17

Proton transfer in solution: Molecular dynamics with quantum transitions

Sharon Hammes‐Schiffer, John C. Tully · The Journal of Chemical Physics · 1994 · 1.4K citations

, , +17

1–5 of 2.5K

Authors

6.5K

  1. SA
    Santiago Aparício

    Universidad de Burgos, Spain

    32 publications · 1.3K citations

    22

    h-index

  2. SB
    Susan B. Sinnott

    University of Florida, United States

    28 publications · 1.5K citations

    22

    h-index

  3. PJ
    Pavel Jungwirth

    Czech Academy of Sciences, Institute of Organic Chemistry and Biochemistry, Czechia

    18 publications · 1.8K citations

    17

    h-index

  4. MA
    Mert Atilhan

    Universidad de Burgos, Spain

    22 publications · 730 citations

    17

    h-index

  5. GA
    Gregory A. Voth

    University of Chicago, United States

    17 publications · 2K citations

    16

    h-index

1–5 of 6.5K

Institutions

1.7K

  1. Centre National de la Recherche Scientifique

    Paris, France

    45 h-index

    533 publications

    37.2K citations

  2. Commissariat à l'Énergie Atomique et aux Énergies Alternatives

    Paris, France

    28 h-index

    144 publications

    6.7K citations

  3. Los Alamos National Laboratory

    Los Alamos, United States

    28 h-index

    115 publications

    6.8K citations

  4. Pacific Northwest National Laboratory

    Richland, United States

    27 h-index

    105 publications

    8.4K citations

  5. University College London

    London, United Kingdom

    27 h-index

    87 publications

    4.9K citations

  6. Lawrence Berkeley National Laboratory

    Berkeley, United States

    26 h-index

    83 publications

    11.2K citations

  7. Pennsylvania State University

    State College, United States

    26 h-index

    97 publications

    4.9K citations

  8. Sorbonne Université

    Paris, France

    26 h-index

    158 publications

    7K citations

1–8 of 1.7K

Venues

  1. The Journal of Chemical Physics

    424 publications · 30.1K citations

    80

    h-index

  2. The Journal of Physical Chemistry B

    242 publications · 11.9K citations

    58

    h-index

  3. The Journal of Physical Chemistry C

    146 publications · 6.3K citations

    43

    h-index

  4. Physical Review B

    PRB · 79 publications · 5.8K citations

    40

    h-index

  5. Journal of Chemical Theory and Computation

    JCTC · 68 publications · 7.9K citations

    37

    h-index

1–5