Concepedia

Machine-learning-assisted search for functional materials over extended chemical space

Vadim Korolev, Artem Mitrofanov, Artem A. Eliseev, Valery Tkachenko

Materials Horizons · 2020 · 25 citations · 59 references

DOI

Concepts

Abstract

New computational framework has extended an inverse materials design over all the possible stoichiometric compounds.

References

59

Commentary: The Materials Project: A materials genome approach to accelerating materials innovation

Anubhav Jain, Shyue Ping Ong, Geoffroy Hautier et al. · APL Materials · 2013 · 12.7K citations · Full text

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In situ immune response and mechanisms of cell damage in central nervous system of fatal cases microcephaly by Zika virus

Raimunda do Socorro da Silva Azevedo, Jorge Rodrigues de Sousa, Marialva Tereza Ferreira de Araújo et al. · Scientific Reports · 2018 · 3.6K citations · Full text

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Automatic Chemical Design Using a Data-Driven Continuous Representation of Molecules

ACS Central Science · 2018 · 3K citations · Full text

, , +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

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Crystal structure prediction using <i>ab initio</i> evolutionary techniques: Principles and applications

Artem R. Oganov, Colin W. Glass · The Journal of Chemical Physics · 2006 · 2.5K citations

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