Concepedia

Ab Initio Phase Stability

Ab Initio Phase Stability is a computational methodology in materials science that determines the thermodynamic stability of crystalline phases from first principles quantum mechanics, without empirical fitting parameters, by calculating formation energies and comparing ground-state structures.

955

Publications

47.6K

Citations

2.7K

Authors

886

Institutions

Publications per year

2017–2026

215

Parents

Publications

955

A brief introduction to the ABINIT software package

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

, , +17

Theory of static structural properties, crystal stability, and phase transformations: Application to Si and Ge

M. T. Yin, Marvin L. Cohen · Physical review. B, Condensed matter · 1982 · 897 citations · Full text

, , +17

Li−Fe−P−O<sub>2</sub> Phase Diagram from First Principles Calculations

Shyue Ping Ong, Lei Wang, Byoungwoo Kang et al. · Chemistry of Materials · 2008 · 807 citations

, , +17

An autonomous laboratory for the accelerated synthesis of inorganic materials

Nathan J. Szymanski, Bernardus Rendy, Yuxing Fei et al. · Nature · 2023 · 806 citations · Full text

, , +17

First-principles study of the rocksalt–cesium chloride relative phase stability in alkali halides

M. Flórez, J. M. Recio, E. Francisco et al. · Physical review. B, Condensed matter · 2002 · 552 citations

, , +17

1–5 of 955

Authors

2.7K

  1. CC
    C. Colinet

    Laboratoire d’Electrochimie et de Physico-chimie des Matériaux et des Interfaces, France

    17 publications · 763 citations

    14

    h-index

  2. AM
    Alfonso Muñoz

    Universidad de La Laguna, Spain

    14 publications · 670 citations

    12

    h-index

  3. ZL
    Zi‐Kui Liu

    Pennsylvania State University, United States

    12 publications · 557 citations

    12

    h-index

  4. PS
    Per Söderlind

    Lawrence Livermore National Laboratory, United States

    13 publications · 721 citations

    12

    h-index

  5. AR
    Artem R. Oganov

    Skolkovo Institute of Science and Technology, Russia

    11 publications · 643 citations

    11

    h-index

1–5 of 2.7K

Institutions

886

  1. Centre National de la Recherche Scientifique

    Paris, France

    24 h-index

    116 publications

    4.7K citations

  2. Chinese Academy of Sciences

    Beijing, China

    21 h-index

    97 publications

    5K citations

  3. Uppsala University

    Uppsala, Sweden

    20 h-index

    66 publications

    2.7K citations

  4. KTH Royal Institute of Technology

    Stockholm, Sweden

    18 h-index

    40 publications

    1.3K citations

  5. Lawrence Livermore National Laboratory

    Livermore, United States

    18 h-index

    67 publications

    4.2K citations

  6. Los Alamos National Laboratory

    Los Alamos, United States

    16 h-index

    39 publications

    2.2K citations

  7. Northwestern Polytechnical University

    Xi'an, China

    15 h-index

    30 publications

    1.6K citations

  8. Jilin University

    Changchun, China

    15 h-index

    77 publications

    3.3K citations

1–8 of 886

Venues

  1. Physical review. B, Condensed matter

    PRB · 71 publications · 7.3K citations

    44

    h-index

  2. Physical Review B

    PRB · 56 publications · 2.9K citations

    35

    h-index

  3. Journal of Alloys and Compounds

    47 publications · 2.4K citations

    28

    h-index

  4. Journal of Physics Condensed Matter

    59 publications · 1.7K citations

    26

    h-index

  5. Acta Materialia

    31 publications · 2.2K citations

    24

    h-index

1–5