Concepedia

Polymorph Prediction

Polymorph Prediction is a computational or theoretical framework within the field of materials science and crystallography that enables the identification and ranking of energetically viable crystalline structures (polymorphs) of a given compound by predicting their relative stability, arrangement, and physical properties from molecular composition and packing principles.

510

Publications

30.5K

Citations

1.7K

Authors

630

Institutions

Publications per year

2017–2026

171

Parents

Publications

510

The geometry of polyhedral distortions. Predictive relationships for the phosphate group

W. H. Baur · Acta Crystallographica Section B · 1974 · 1.2K citations

, , +13

Are Crystal Structures Predictable?

A. Gavezzotti · Accounts of Chemical Research · 1994 · 920 citations

, , +10

Report on the sixth blind test of organic crystal structure prediction methods

Anthony M. Reilly, Richard I. Cooper, Claire S. Adjiman et al. · Acta Crystallographica Section B Structural Science Crystal Engineering and Materials · 2016 · 605 citations · Full text

, , +12

Hirshfeld Surfaces Identify Inadequacies in Computations of Intermolecular Interactions in Crystals: Pentamorphic 1,8-Dihydroxyanthraquinone

Andrew L. Rohl, Massimo Moret, Werner Kaminsky et al. · Crystal Growth & Design · 2008 · 592 citations

, , +16

A test of crystal structure prediction of small organic molecules

Jos P. M. Lommerse, W.D.S. Motherwell, Herman L. Ammon et al. · Acta Crystallographica Section B Structural Science · 2000 · 443 citations

, , +13

1–5 of 510

Authors

1.7K

  1. SL
    Sarah L. Price

    University College London, United Kingdom

    37 publications · 4.6K citations

    31

    h-index

  2. GM
    Graeme M. Day

    University of Southampton, United Kingdom

    18 publications · 2.4K citations

    18

    h-index

  3. FJ
    Frank J. J. Leusen

    University of Bradford, United Kingdom

    14 publications · 2K citations

    13

    h-index

  4. MA
    Marcus A. Neumann

    University College London, United Kingdom

    11 publications · 1.7K citations

    11

    h-index

  5. LS
    Louise S. Price

    University College London, United Kingdom

    11 publications · 1.7K citations

    11

    h-index

1–5 of 1.7K

Institutions

630

  1. University College London

    London, United Kingdom

    36 h-index

    163 publications

    18.7K citations

  2. University of Cambridge

    Cambridge, United Kingdom

    19 h-index

    57 publications

    4.9K citations

  3. Cambridge Crystallographic Data Centre

    Cambridge, United Kingdom

    15 h-index

    48 publications

    9.9K citations

  4. Imperial College London

    London, United Kingdom

    14 h-index

    45 publications

    7.4K citations

  5. University of Bradford

    Bradford, United Kingdom

    11 h-index

    28 publications

    2.2K citations

  6. Centre National de la Recherche Scientifique

    Paris, France

    11 h-index

    34 publications

    1.2K citations

  7. Rutherford Appleton Laboratory

    Didcot, United Kingdom

    11 h-index

    24 publications

    1.1K citations

  8. University of Bologna

    Bologna, Italy

    10 h-index

    38 publications

    2.4K citations

1–8 of 630

Venues

  1. Crystal Growth & Design

    70 publications · 3.8K citations

    37

    h-index

  2. CrystEngComm

    38 publications · 1.8K citations

    26

    h-index

  3. Journal of the American Chemical Society

    JACS · 20 publications · 1.8K citations

    19

    h-index

  4. Physical Chemistry Chemical Physics

    PCCP · 16 publications · 470 citations

    14

    h-index

  5. 13

    h-index

1–5