Concepedia

Charge-dependent Interatomic Potentials

Charge-Dependent Interatomic Potentials is a type of interatomic potential that explicitly incorporates atomic charges as dynamic variables to model the dependence of atomic interactions on charge state, enabling accurate description of charge transfer, polarization, and ionic bonding in materials systems.

243

Publications

23K

Citations

676

Authors

310

Institutions

Publications per year

2017–2026

45

Parents

Publications

243

Bonded-atom fragments for describing molecular charge densities

F. L. Hirshfeld · Theoretical Chemistry Accounts · 1977 · 6.9K citations

, , +14

Auxiliary basis sets for main row atoms and transition metals and their use to approximate Coulomb potentials

Karin Eichkorn, Florian Weigend, Oliver Treutler et al. · Theoretical Chemistry Accounts · 1997 · 3.5K citations

, , +13

The fundamental nature and role of the electrostatic potential in atoms and molecules

Peter Politzer, Jane S. Murray · Theoretical Chemistry Accounts · 2002 · 1.3K citations

, , +14

Bonded and nonbonded charge concentrations and their relation to molecular geometry and reactivity

R. F. W. Bader, Preston J. MacDougall, C. D. H. LAU · Journal of the American Chemical Society · 1984 · 583 citations

, , +11

Interatomic potentials for ionic systems with density functional accuracy based on charge densities obtained by a neural network

S. Alireza Ghasemi, Albert Hofstetter, Santanu Saha et al. · Physical Review B · 2015 · 303 citations · Full text

, , +16

1–5 of 243

Authors

676

  1. BL
    Byeong‐Joo Lee

    Pohang University of Science and Technology, South Korea

    6 publications · 393 citations

    6

    h-index

  2. OI
    Olexandr Isayev

    Carnegie Mellon University, United States

    4 publications · 175 citations

    4

    h-index

  3. PP
    Peter Politzer

    University of New Orleans, United States

    4 publications · 1.6K citations

    4

    h-index

  4. RZ
    R.I. Zubatyuk

    State Scientific Institution “Institute for Single Crystals” of National Academy of Sciences of Ukraine, Ukraine

    4 publications · 175 citations

    4

    h-index

  5. FG
    Fei Gao

    Pacific Northwest National Laboratory, United States

    4 publications · 247 citations

    4

    h-index

1–5 of 676

Institutions

310

  1. Centre National de la Recherche Scientifique

    Paris, France

    7 h-index

    18 publications

    393 citations

  2. University College London

    London, United Kingdom

    6 h-index

    8 publications

    529 citations

  3. Pohang University of Science and Technology

    Pohang, South Korea

    6 h-index

    17 publications

    1.2K citations

  4. Imperial College London

    London, United Kingdom

    6 h-index

    16 publications

    712 citations

  5. Belgian Nuclear Research Centre

    Mol, Belgium

    6 h-index

    12 publications

    977 citations

  6. Carnegie Mellon University

    Pittsburgh, United States

    5 h-index

    13 publications

    546 citations

  7. University of Nottingham

    Nottingham, United Kingdom

    5 h-index

    9 publications

    235 citations

  8. University of New Orleans

    New Orleans, United States

    4 h-index

    8 publications

    3.2K citations

1–8 of 310

Venues

  1. Journal of Nuclear Materials

    16 publications · 1.3K citations

    16

    h-index

  2. Computational Materials Science

    15 publications · 543 citations

    15

    h-index

  3. The Journal of Chemical Physics

    15 publications · 820 citations

    14

    h-index

  4. Chemical Physics Letters

    16 publications · 526 citations

    14

    h-index

  5. Theoretical Chemistry Accounts

    9 publications · 11.8K citations

    9

    h-index

1–5