Concepedia

Interatomic Potentials

Interatomic Potentials is a mathematical model that describes the energy of interaction between atoms in a material as a function of their positions, serving as the foundational input for classical molecular dynamics and Monte Carlo simulations in computational materials science.

18.6K

Publications

1.6M

Citations

27.1K

Authors

3.7K

Institutions

Publications per year

2017–2026

1.8K

Variants

Interatomic Force FieldsInteratomic Potential Functions

Parents

Children

Publications

18.6K

A consistent and accurate<i>ab initio</i>parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

Stefan Grimme, Jens Antony, Stephan Ehrlich et al. · The Journal of Chemical Physics · 2010 · 56.9K citations

, , +14

Comparison of simple potential functions for simulating liquid water

William L. Jorgensen, Jayaraman Chandrasekhar, Jeffry D. Madura et al. · The Journal of Chemical Physics · 1983 · 42.1K citations

, , +17

Semiempirical GGA‐type density functional constructed with a long‐range dispersion correction

Stefan Grimme · Journal of Computational Chemistry · 2006 · 30.8K citations

, , +17

Particle mesh Ewald: An <i>N</i>⋅log(<i>N</i>) method for Ewald sums in large systems

Tom Darden, Darrin M. York, Lee G. Pedersen · The Journal of Chemical Physics · 1993 · 30.7K citations · Full text

, , +13

Effect of the damping function in dispersion corrected density functional theory

Stefan Grimme, Stephan Ehrlich, Lars Goerigk · Journal of Computational Chemistry · 2011 · 27.1K citations

, , +10

1–5 of 18.6K

Authors

27.1K

  1. DG
    Donald G. Truhlar

    University of Minnesota, United States

    92 publications · 11K citations

    42

    h-index

  2. PP
    Peter Politzer

    University of New Orleans, United States

    71 publications · 10.2K citations

    42

    h-index

  3. EA
    Edward A. Mason

    Brown University, United States

    76 publications · 4.7K citations

    41

    h-index

  4. KS
    Krzysztof Szalewicz

    University of Delaware, United States

    51 publications · 4.2K citations

    38

    h-index

  5. JS
    Jane S. Murray

    University of New Orleans, United States

    47 publications · 9K citations

    36

    h-index

1–5 of 27.1K

Institutions

3.7K

  1. Centre National de la Recherche Scientifique

    Paris, France

    81 h-index

    1.3K publications

    64K citations

  2. University of Cambridge

    Cambridge, United Kingdom

    76 h-index

    425 publications

    50.6K citations

  3. University of California, Berkeley

    Berkeley, United States

    73 h-index

    449 publications

    45.7K citations

  4. Los Alamos National Laboratory

    Los Alamos, United States

    71 h-index

    512 publications

    112.4K citations

  5. University of Chicago

    Chicago, United States

    66 h-index

    266 publications

    33.7K citations

  6. Lawrence Livermore National Laboratory

    Livermore, United States

    64 h-index

    394 publications

    26.5K citations

  7. Lawrence Berkeley National Laboratory

    Berkeley, United States

    62 h-index

    399 publications

    40.8K citations

  8. Harvard University

    Cambridge, United States

    61 h-index

    263 publications

    35.3K citations

1–8 of 3.7K

Venues

  1. The Journal of Chemical Physics

    3.7K publications · 465.9K citations

    219

    h-index

  2. Physical review. B, Condensed matter

    PRB · 747 publications · 100.9K citations

    122

    h-index

  3. Physical Review Letters

    PRL · 319 publications · 65.2K citations

    102

    h-index

  4. Molecular Physics

    614 publications · 57.1K citations

    88

    h-index

  5. Chemical Physics Letters

    1.1K publications · 44.9K citations

    85

    h-index

1–5