Concepedia

Supercells

Supercells is a computational materials science construct that extends a primitive unit cell by periodic repetition in three dimensions to form a larger, representative structural framework used for simulating complex crystallographic phenomena with enhanced spatial resolution.

644

Publications

49.5K

Citations

2K

Authors

697

Institutions

Publications per year

2017–2026

166

Parents

Publications

644

Periodic boundary conditions in<i>ab initio</i>calculations

Guy Makov, M. C. Payne · Physical review. B, Condensed matter · 1995 · 3K citations

, , +12

Self-consistent order-<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>N</mml:mi></mml:math>density-functional calculations for very large systems

Pablo Ordejón, Emilio Artacho, José M. Soler · Physical review. B, Condensed matter · 1996 · 2.6K citations · Full text

, , +17

Fully<i>Ab Initio</i>Finite-Size Corrections for Charged-Defect Supercell Calculations

Christoph Freysoldt, Jörg Neugebauer, Chris G. Van de Walle · Physical Review Letters · 2009 · 1.5K citations

, , +16

A Theory for Strong, Long-Lived Squall Lines

Richard Rotunno, Joseph B. Klemp, Morris L. Weisman · Journal of the Atmospheric Sciences · 1988 · 1.3K citations · Full text

, , +16

Assessment of correction methods for the band-gap problem and for finite-size effects in supercell defect calculations: Case studies for ZnO and GaAs

Stephan Lany, Alex Zunger · Physical Review B · 2008 · 1.3K citations

, , +16

1–5 of 644

Authors

2K

  1. PM
    Paul Markowski

    Pennsylvania State University, United States

    16 publications · 1.8K citations

    16

    h-index

  2. RL
    Richard L. Thompson

    Durham University, United Kingdom

    10 publications · 1.6K citations

    10

    h-index

  3. MD
    Matthew D. Parker

    North Carolina State University, United States

    9 publications · 559 citations

    9

    h-index

  4. AZ
    Alex Zunger

    National Laboratory of the Rockies, United States

    8 publications · 2.3K citations

    8

    h-index

  5. SK
    S. K. Estreicher

    Texas Tech University, United States

    8 publications · 298 citations

    8

    h-index

1–5 of 2K

Institutions

697

  1. University of Oklahoma

    Norman, United States

    24 h-index

    63 publications

    5.4K citations

  2. Centre National de la Recherche Scientifique

    Paris, France

    22 h-index

    80 publications

    5.4K citations

  3. Pennsylvania State University

    State College, United States

    20 h-index

    48 publications

    3.4K citations

  4. Cooperative Institute for Mesoscale Meteorological Studies

    Norman, United States

    17 h-index

    27 publications

    2.2K citations

  5. NOAA National Severe Storms Laboratory

    Norman, United States

    15 h-index

    36 publications

    2.7K citations

  6. Texas Tech University

    Lubbock, United States

    14 h-index

    36 publications

    1.4K citations

  7. North Carolina State University

    Raleigh, United States

    14 h-index

    36 publications

    1.8K citations

  8. University of Cambridge

    Cambridge, United Kingdom

    12 h-index

    24 publications

    1.8K citations

1–8 of 697

Venues

  1. Physical review. B, Condensed matter

    PRB · 60 publications · 11.4K citations

    38

    h-index

  2. Physical Review B

    PRB · 51 publications · 5.5K citations

    35

    h-index

  3. Monthly Weather Review

    37 publications · 2.6K citations

    29

    h-index

  4. Weather and Forecasting

    34 publications · 2.7K citations

    25

    h-index

  5. Physical review. B./Physical review. B

    PRB · 24 publications · 961 citations

    19

    h-index

1–5