Concepedia

Phase Structure Prediction

Phase Structure Prediction is a computational method in materials science that identifies the thermodynamically stable atomic configurations of a substance under given conditions by predicting its most favorable crystalline phase from compositional and energetic principles.

602

Publications

34.8K

Citations

2.1K

Authors

778

Institutions

Publications per year

2017–2026

230

Parents

Publications

602

Theoretical predictions of structure and related properties of intermetallics

D. G. Pettifor · Materials Science and Technology · 1992 · 2K citations

, , +17

A brief introduction to the ABINIT software package

Xavier Gonze · Zeitschrift für Kristallographie - Crystalline Materials · 2005 · 1.3K citations

, , +17

Accelerated exploration of multi-principal element alloys with solid solution phases

O.N. Senkov, Jonathan D. Miller, D.B. Miracle et al. · Nature Communications · 2015 · 852 citations · Full text

, , +17

High-Pressure Phases of Silane

Chris J. Pickard, R. J. Needs · Physical Review Letters · 2006 · 736 citations · Full text

, , +16

Phase diagrams in the three-flavor Nambu–Jona-Lasinio model with the Polyakov loop

Kenji Fukushima · Physical review. D. Particles, fields, gravitation, and cosmology/Physical review. D, Particles, fields, gravitation, and cosmology · 2008 · 503 citations

, , +16

1–5 of 602

Authors

2.1K

  1. JR
    Johanna Rosén

    Linköping University, Sweden

    7 publications · 678 citations

    7

    h-index

  2. MD
    Martin Dahlqvist

    Linköping University, Sweden

    7 publications · 678 citations

    7

    h-index

  3. MA
    Miguel A. L. Marques

    Centre National de la Recherche Scientifique, France

    5 publications · 253 citations

    5

    h-index

  4. ZL
    Zi‐Kui Liu

    Pennsylvania State University, United States

    5 publications · 264 citations

    5

    h-index

  5. GJ
    Graeme J. Ackland

    University of Edinburgh, United Kingdom

    5 publications · 303 citations

    5

    h-index

1–5 of 2.1K

Institutions

778

  1. Centre National de la Recherche Scientifique

    Paris, France

    15 h-index

    37 publications

    1.2K citations

  2. Chinese Academy of Sciences

    Beijing, China

    13 h-index

    37 publications

    1.4K citations

  3. Jilin University

    Changchun, China

    12 h-index

    59 publications

    2.2K citations

  4. University of Science and Technology Beijing

    Beijing, China

    11 h-index

    39 publications

    1.9K citations

  5. Linköping University

    Linköping, Sweden

    10 h-index

    26 publications

    3K citations

  6. Northwestern University

    Evanston, United States

    10 h-index

    22 publications

    2.2K citations

  7. Central South University

    Changsha, China

    10 h-index

    40 publications

    2K citations

  8. Tsinghua University

    Beijing, China

    10 h-index

    30 publications

    1.6K citations

1–8 of 778

Venues

  1. Acta Materialia

    28 publications · 2.7K citations

    24

    h-index

  2. Computational Materials Science

    24 publications · 1.4K citations

    20

    h-index

  3. Journal of Alloys and Compounds

    26 publications · 856 citations

    17

    h-index

  4. Physical Review Letters

    PRL · 17 publications · 2.2K citations

    16

    h-index

  5. Physical review. B, Condensed matter

    PRB · 15 publications · 1.2K citations

    15

    h-index

1–5