Shifting computational boundaries for complex organic materials

R. Matthias Geilhufe; Bart Olsthoorn; Alexander V. Balatsky

doi:10.1038/s41567-020-01135-6

Shifting computational boundaries for complex organic materials

Materials Science 2021-12-10 v1 Disordered Systems and Neural Networks Chemical Physics Computational Physics

Authors: R. Matthias Geilhufe , Bart Olsthoorn , Alexander V. Balatsky

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Abstract

Methodology adapted from data science sparked the field of materials informatics, and materials databases are at the heart of it. Applying artificial intelligence to these databases will allow the prediction of properties of complex organic crystals.

Keywords

crystal structure prediction machine learning in materials science

Cite

@article{arxiv.2108.11880,
  title  = {Shifting computational boundaries for complex organic materials},
  author = {R. Matthias Geilhufe and Bart Olsthoorn and Alexander V. Balatsky},
  journal= {arXiv preprint arXiv:2108.11880},
  year   = {2021}
}

Comments

5 pages, 2 figures

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