Concepedia

Electronic Structure Simulation

Electronic Structure Simulation is a computational quantum method that determines the distribution and energetics of electrons in atoms and molecules by solving the Schröd влиянии principle, specifically through approximations to the many-body Schrödinger equation under the Born-Oppenheimer framework.

4.8K

Publications

365.9K

Citations

14.1K

Authors

2.7K

Institutions

Publications per year

2017–2026

1.1K

Variants

Electronic Structure Simulations

Parents

Publications

4.8K

QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials

Paolo Giannozzi, Stefano Baroni, Nicola Bonini et al. · Journal of Physics Condensed Matter · 2009 · 28.8K citations · Full text

, , +17

General atomic and molecular electronic structure system

Michael W. Schmidt, Kim K. Baldridge, Jerry A. Boatz et al. · Journal of Computational Chemistry · 1993 · 20.2K citations

, , +17

First-principles simulation: ideas, illustrations and the CASTEP code

Matthew Segall, Philip J. D. Lindan, Matt Probert et al. · Journal of Physics Condensed Matter · 2002 · 11.8K citations · Full text

, , +11

Chemistry with ADF

G. te Velde, F. Matthias Bickelhaupt, Evert Jan Baerends et al. · Journal of Computational Chemistry · 2001 · 10K citations

, , +17

Advanced capabilities for materials modelling with Quantum ESPRESSO

Journal of Physics Condensed Matter · 2017 · 7.5K citations · Full text

, , +16

1–5 of 4.8K

Authors

14.1K

  1. JB
    Jean‐Luc Brédas

    Georgia Institute of Technology, United States

    28 publications · 2.7K citations

    21

    h-index

  2. FN
    Frank Neese

    Max Planck Institute for Chemical Energy Conversion, Germany

    19 publications · 2.5K citations

    18

    h-index

  3. GG
    Giulia Galli

    University of Chicago, United States

    17 publications · 1.4K citations

    16

    h-index

  4. ML
    Marvin L. Cohen

    Lawrence Berkeley National Laboratory, United States

    18 publications · 3.4K citations

    16

    h-index

  5. JH
    J. Häfner

    TU Wien, Austria

    19 publications · 811 citations

    16

    h-index

1–5 of 14.1K

Institutions

2.7K

  1. Centre National de la Recherche Scientifique

    Paris, France

    51 h-index

    529 publications

    235.3K citations

  2. Lawrence Berkeley National Laboratory

    Berkeley, United States

    44 h-index

    240 publications

    35.2K citations

  3. University of California, Berkeley

    Berkeley, United States

    36 h-index

    159 publications

    13.4K citations

  4. Northwestern University

    Evanston, United States

    34 h-index

    139 publications

    7.8K citations

  5. Massachusetts Institute of Technology

    Cambridge, United States

    34 h-index

    116 publications

    108.8K citations

  6. Uppsala University

    Uppsala, Sweden

    32 h-index

    188 publications

    12.1K citations

  7. University College London

    London, United Kingdom

    32 h-index

    91 publications

    8.3K citations

  8. Chinese Academy of Sciences

    Beijing, China

    31 h-index

    232 publications

    19.1K citations

1–8 of 2.7K

Venues

  1. Physical review. B, Condensed matter

    PRB · 226 publications · 17.3K citations

    72

    h-index

  2. The Journal of Chemical Physics

    311 publications · 27.6K citations

    72

    h-index

  3. Physical Review Letters

    PRL · 88 publications · 16.4K citations

    54

    h-index

  4. Journal of the American Chemical Society

    JACS · 91 publications · 11.5K citations

    53

    h-index

  5. Physical Review B

    PRB · 135 publications · 12.6K citations

    52

    h-index

1–5