Jump to main content
Jump to site search


Liquid electrolyte informatics using an exhaustive search with linear regression

Author affiliations

Abstract

Exploring new liquid electrolyte materials is a fundamental target for developing new high-performance lithium-ion batteries. In contrast to solid materials, disordered liquid solution properties have been less studied by data-driven information techniques. Here, we examined the estimation accuracy and efficiency of three information techniques, multiple linear regression (MLR), least absolute shrinkage and selection operator (LASSO), and exhaustive search with linear regression (ES-LiR), by using coordination energy and melting point as test liquid properties. We then confirmed that ES-LiR gives the most accurate estimation among the techniques. We also found that ES-LiR can provide the relationship between the “prediction accuracy” and “calculation cost” of the properties via a weight diagram of descriptors. This technique makes it possible to choose the balance of the “accuracy” and “cost” when the search of a huge amount of new materials was carried out.

Graphical abstract: Liquid electrolyte informatics using an exhaustive search with linear regression

Back to tab navigation

Supplementary files

Publication details

The article was received on 11 Dec 2017, accepted on 24 May 2018 and first published on 14 Jun 2018


Article type: Paper
DOI: 10.1039/C7CP08280K
Citation: Phys. Chem. Chem. Phys., 2018, Advance Article
  • Open access: Creative Commons BY license
  •   Request permissions

    Liquid electrolyte informatics using an exhaustive search with linear regression

    K. Sodeyama, Y. Igarashi, T. Nakayama, Y. Tateyama and M. Okada, Phys. Chem. Chem. Phys., 2018, Advance Article , DOI: 10.1039/C7CP08280K

    This article is licensed under a Creative Commons Attribution 3.0 Unported Licence. Material from this article can be used in other publications provided that the correct acknowledgement is given with the reproduced material.

    Reproduced material should be attributed as follows:

    • For reproduction of material from NJC:
      [Original citation] - Published by The Royal Society of Chemistry (RSC) on behalf of the Centre National de la Recherche Scientifique (CNRS) and the RSC.
    • For reproduction of material from PCCP:
      [Original citation] - Published by the PCCP Owner Societies.
    • For reproduction of material from PPS:
      [Original citation] - Published by The Royal Society of Chemistry (RSC) on behalf of the European Society for Photobiology, the European Photochemistry Association, and RSC.
    • For reproduction of material from all other RSC journals:
      [Original citation] - Published by The Royal Society of Chemistry.

    Information about reproducing material from RSC articles with different licences is available on our Permission Requests page.

Search articles by author

Spotlight

Advertisements