Concepedia

Structure-property Modeling

Structure-Property Modeling is a computational or mathematical framework that establishes quantitative relationships between the microstructural features of a material and its macroscopic properties by integrating physics-based principles, empirical data, or machine learning algorithms to predict material behavior.

524

Publications

42.4K

Citations

1.8K

Authors

680

Institutions

Publications per year

2017–2026

267

Variants

Structure-property Relationship Modeling

Parents

Publications

524

First-principles computation of material properties: the ABINIT software project

Xavier Gonze, J.-M. Beuken, Razvan Caracas et al. · Computational Materials Science · 2002 · 3.1K citations

, , +16

Crystal Graph Convolutional Neural Networks for an Accurate and Interpretable Prediction of Material Properties

Tian Xie, Jeffrey C. Grossman · Physical Review Letters · 2018 · 2.6K citations · Full text

, , +17

Recent advances and applications of machine learning in solid-state materials science

Jonathan Schmidt, Mário R. G. Marques, Silvana Botti et al. · npj Computational Materials · 2019 · 2.4K citations · Full text

, , +11

Two‐Photon Absorption and the Design of Two‐Photon Dyes

Miłosz Pawlicki, Hazel A. Collins, R.G. Denning et al. · Angewandte Chemie International Edition · 2009 · 2K citations

, , +17

ESTIMATION OF PURE-COMPONENT PROPERTIES FROM GROUP-CONTRIBUTIONS

Kevin G. Joback, Robert C. Reid · Chemical Engineering Communications · 1987 · 2K citations

, , +14

1–5 of 524

Authors

1.8K

  1. SR
    Surya R. Kalidindi

    Drexel University, United States

    8 publications · 1.3K citations

    8

    h-index

  2. GL
    Garth L. Wilkes

    Virginia Tech, United States

    7 publications · 913 citations

    7

    h-index

  3. SM
    Sourav Mondal

    National Institute of Technology Durgapur, India

    5 publications · 317 citations

    6

    h-index

  4. NT
    Nenad Trinajstić

    Ruđer Bošković Institute, Croatia

    4 publications · 408 citations

    4

    h-index

  5. JL
    Jia‐Bao Liu

    Anhui Jianzhu University, China

    4 publications · 166 citations

    4

    h-index

1–5 of 1.8K

Institutions

680

  1. Georgia Institute of Technology

    Atlanta, United States

    12 h-index

    28 publications

    4.1K citations

  2. Northwestern University

    Evanston, United States

    12 h-index

    45 publications

    6K citations

  3. Centre National de la Recherche Scientifique

    Paris, France

    12 h-index

    27 publications

    1.7K citations

  4. Chinese Academy of Sciences

    Beijing, China

    12 h-index

    43 publications

    3.2K citations

  5. Virginia Tech

    Blacksburg, United States

    11 h-index

    31 publications

    2.2K citations

  6. University of Chinese Academy of Sciences

    Beijing, China

    10 h-index

    21 publications

    1.9K citations

  7. Los Alamos National Laboratory

    Los Alamos, United States

    8 h-index

    32 publications

    837 citations

  8. Massachusetts Institute of Technology

    Cambridge, United States

    7 h-index

    33 publications

    12.5K citations

1–8 of 680

Venues

  1. Computational Materials Science

    13 publications · 3.9K citations

    12

    h-index

  2. Polymer

    12 publications · 946 citations

    12

    h-index

  3. Acta Materialia

    9 publications · 1.4K citations

    12

    h-index

  4. Journal of Non-Crystalline Solids

    8 publications · 258 citations

    9

    h-index

  5. npj Computational Materials

    8 publications · 2.7K citations

    8

    h-index

1–5