Concepedia

Classical Force Fields

Classical Force Fields is a computational modeling framework in molecular simulation that, as distinguished from quantum mechanical approaches, employs empirically parameterized, fixed functional forms to represent interatomic interactions based on classical physics principles.

673

Publications

51.4K

Citations

2K

Authors

723

Institutions

Publications per year

2017–2026

219

Variants

Classical Force Field

Parents

Publications

673

DREIDING: a generic force field for molecular simulations

Stephen L. Mayo, Barry D. Olafson, William A. Goddard · The Journal of Physical Chemistry · 1990 · 6.5K citations

, , +15

The ReaxFF reactive force-field: development, applications and future directions

Thomas P. Senftle, Sungwook Hong, Md Mahbubul Islam et al. · npj Computational Materials · 2016 · 2.3K citations · Full text

, , +16

The general theory of molecular forces

Transactions of the Faraday Society · 1937 · 1.4K citations

, , +16

On the measurement of a weak classical force coupled to a quantum-mechanical oscillator. I. Issues of principle

Carlton M. Caves, Kip S. Thorne, R. W. P. Drever et al. · Reviews of Modern Physics · 1980 · 1.2K citations · Full text

, , +14

CHGNet as a pretrained universal neural network potential for charge-informed atomistic modelling

Bowen Deng, Peichen Zhong, KyuJung Jun et al. · Nature Machine Intelligence · 2023 · 771 citations · Full text

, , +17

1–5 of 673

Authors

2K

  1. JP
    Jean‐Philip Piquemal

    Laboratoire de Chimie Théorique, France

    10 publications · 570 citations

    10

    h-index

  2. AD
    Alexander D. MacKerell

    University of Maryland, Baltimore, United States

    10 publications · 743 citations

    10

    h-index

  3. PR
    Pengyu Ren

    The University of Texas at Austin, United States

    7 publications · 391 citations

    7

    h-index

  4. AE
    Adrián E. Roitberg

    University of Florida, United States

    7 publications · 1K citations

    7

    h-index

  5. CL
    Chengwen Liu

    The University of Texas MD Anderson Cancer Center, United States

    6 publications · 350 citations

    6

    h-index

1–5 of 2K

Institutions

723

  1. Centre National de la Recherche Scientifique

    Paris, France

    27 h-index

    129 publications

    5.5K citations

  2. Sorbonne Université

    Paris, France

    22 h-index

    80 publications

    2.9K citations

  3. University of Cambridge

    Cambridge, United Kingdom

    13 h-index

    32 publications

    2.6K citations

  4. Pennsylvania State University

    State College, United States

    13 h-index

    31 publications

    22.7K citations

  5. ETH Zurich

    Zurich, Switzerland

    12 h-index

    29 publications

    3K citations

  6. University of Maryland, Baltimore

    Baltimore, United States

    11 h-index

    38 publications

    3.6K citations

  7. Laboratoire de Chimie Théorique

    Paris, France

    11 h-index

    29 publications

    2K citations

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

    Paris, France

    11 h-index

    22 publications

    982 citations

1–8 of 723

Venues

  1. The Journal of Chemical Physics

    79 publications · 4.8K citations

    41

    h-index

  2. Journal of Chemical Theory and Computation

    JCTC · 71 publications · 4.2K citations

    39

    h-index

  3. The Journal of Physical Chemistry B

    50 publications · 3.5K citations

    35

    h-index

  4. The Journal of Physical Chemistry C

    34 publications · 1.9K citations

    23

    h-index

  5. The Journal of Physical Chemistry A

    27 publications · 1.9K citations

    20

    h-index

1–5