Concepedia

Computational Material Design

Computational Material Design is a systematic approach within material computation that integrates computational models, algorithms, and simulation frameworks to intentionally generate and optimize material structures with targeted physical or functional behaviors.

748

Publications

55.8K

Citations

2.7K

Authors

890

Institutions

Publications per year

2017–2026

425

Parents

Publications

748

A Chromium Terephthalate-Based Solid with Unusually Large Pore Volumes and Surface Area

Gérard Férey, Caroline Mellot‐Draznieks, Christian Serre et al. · Science · 2005 · 5.3K citations · Full text

, , +16

The high-throughput highway to computational materials design

Stefano Curtarolo, Gus L. W. Hart, Marco Buongiorno Nardelli et al. · Nature Materials · 2013 · 2K citations

, , +13

Computational Design of Hierarchically Structured Materials

G. B. Olson · Science · 1997 · 1.2K citations · Full text

, , +17

Lead-Free Halide Double Perovskites via Heterovalent Substitution of Noble Metals

George Volonakis, Marina R. Filip, Amir A. Haghighirad et al. · The Journal of Physical Chemistry Letters · 2016 · 1.1K citations

, , +17

Computational Alchemy: The Search for New Superhard Materials

David M. Teter · MRS Bulletin · 1998 · 978 citations

, , +10

1–5 of 748

Authors

2.7K

  1. AM
    Achim Menges

    University of Stuttgart, Germany

    20 publications · 656 citations

    16

    h-index

  2. MJ
    Markus J. Buehler

    Massachusetts Institute of Technology, United States

    13 publications · 641 citations

    12

    h-index

  3. WC
    Wei Chen

    Northwestern University, United States

    7 publications · 457 citations

    7

    h-index

  4. DL
    David L. McDowell

    Georgia Institute of Technology, United States

    7 publications · 535 citations

    7

    h-index

  5. CM
    Caroline Mellot‐Draznieks

    Centre National de la Recherche Scientifique, France

    7 publications · 5.8K citations

    7

    h-index

1–5 of 2.7K

Institutions

890

  1. Massachusetts Institute of Technology

    Cambridge, United States

    25 h-index

    74 publications

    6.1K citations

  2. Centre National de la Recherche Scientifique

    Paris, France

    19 h-index

    72 publications

    41.2K citations

  3. Northwestern University

    Evanston, United States

    19 h-index

    64 publications

    6.8K citations

  4. Georgia Institute of Technology

    Atlanta, United States

    14 h-index

    41 publications

    2K citations

  5. National Institute of Standards and Technology

    Gaithersburg, United States

    14 h-index

    52 publications

    12.2K citations

  6. Tsinghua University

    Beijing, China

    13 h-index

    40 publications

    3.4K citations

  7. Delft University of Technology

    Delft, The Netherlands

    13 h-index

    36 publications

    2.5K citations

  8. University of Maryland, College Park

    College Park, United States

    12 h-index

    22 publications

    2.8K citations

1–8 of 890

Venues

  1. npj Computational Materials

    22 publications · 2.2K citations

    21

    h-index

  2. Computational Materials Science

    17 publications · 740 citations

    14

    h-index

  3. JOM

    15 publications · 1.2K citations

    13

    h-index

  4. ACM Transactions on Graphics

    TOG · 13 publications · 1.1K citations

    13

    h-index

  5. Architectural Design

    AD · 14 publications · 661 citations

    13

    h-index

1–5