Concepedia

Computational Discovery

Computational Discovery is a scholarly contribution in the domain of scientific discovery that consists of a computational method, model, framework, or artifact designed to enable, enhance, or automate the process of discovering new knowledge through algorithmic or data-driven means.

154

Publications

8.9K

Citations

663

Authors

276

Institutions

Publications per year

2017–2026

81

Variants

Computational Scientific Discovery

Parents

Publications

154

Band Gaps of the Lead-Free Halide Double Perovskites Cs<sub>2</sub>BiAgCl<sub>6</sub> and Cs<sub>2</sub>BiAgBr<sub>6</sub> from Theory and Experiment

Marina R. Filip, Sam A. J. Hillman, Amir A. Haghighirad et al. · The Journal of Physical Chemistry Letters · 2016 · 722 citations

, , +17

Computational discovery of single-layer III-V materials

Houlong Zhuang, Arunima K. Singh, Richard G. Hennig · Physical Review B · 2013 · 374 citations

, , +17

From computational discovery to experimental characterization of a high hole mobility organic crystal

Anatoliy N. Sokolov, Şule Atahan-Evrenk, Rajib Mondal et al. · Nature Communications · 2011 · 362 citations · Full text

, , +17

In silico discovery of metal-organic frameworks for precombustion CO <sub>2</sub> capture using a genetic algorithm

Yongchul G. Chung, Diego A. Gómez‐Gualdrón, Peng Li et al. · Science Advances · 2016 · 318 citations · Full text

, , +17

Is Multitask Deep Learning Practical for Pharma?

Bharath Ramsundar, Bowen Liu, Zhenqin Wu et al. · Journal of Chemical Information and Modeling · 2017 · 279 citations

, , +9

1–5 of 154

Authors

663

  1. RG
    Richard G. Hennig

    Cornell University, United States

    4 publications · 526 citations

    4

    h-index

  2. SK
    Samar Khatiwala

    Columbia University, United States

    3 publications · 156 citations

    3

    h-index

  3. SO
    Sophy Oliver

    University of Oxford, United Kingdom

    3 publications · 156 citations

    3

    h-index

  4. JK
    Jun Korenaga

    Yale University, United States

    3 publications · 156 citations

    3

    h-index

  5. MJ
    M. J. Jarvis

    University of Oxford, United Kingdom

    3 publications · 156 citations

    3

    h-index

1–5 of 663

Institutions

276

  1. Stanford University

    Stanford, United States

    7 h-index

    25 publications

    3.7K citations

  2. University of Oxford

    Oxford, United Kingdom

    6 h-index

    28 publications

    5.3K citations

  3. Northwestern University

    Evanston, United States

    5 h-index

    30 publications

    4.8K citations

  4. Chinese Academy of Sciences

    Beijing, China

    5 h-index

    29 publications

    1.4K citations

  5. Harvard University

    Cambridge, United States

    4 h-index

    15 publications

    2.7K citations

  6. Yale University

    New Haven, United States

    3 h-index

    3 publications

    151 citations

  7. Lawrence Livermore National Laboratory

    Livermore, United States

    3 h-index

    3 publications

    276 citations

  8. Parc Científic de la Universitat de València

    Paterna, Spain

    3 h-index

    4 publications

    102 citations

1–8 of 276

Venues

  1. Bioinformatics

    8 publications · 303 citations

    8

    h-index

  2. Journal of Chemical Information and Modeling

    JCIM · 6 publications · 674 citations

    6

    h-index

  3. Chemistry of Materials

    5 publications · 135 citations

    5

    h-index

  4. npj Computational Materials

    4 publications · 188 citations

    4

    h-index

  5. Science Advances

    4 publications · 491 citations

    4

    h-index

1–5