Data-Driven Studies of Li-Ion-Battery Materials

Batteries are a critical component of modern society. The growing demand for new battery materials—coupled with a historically long materials development time—highlights the need for advances in battery materials development. Understanding battery systems has been frustratingly s...

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Main Authors: Steven K. Kauwe, Trevor David Rhone, Taylor D. Sparks
Format: Article
Language:English
Published: MDPI AG 2019-01-01
Series:Crystals
Subjects:
Online Access:http://www.mdpi.com/2073-4352/9/1/54
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author Steven K. Kauwe
Trevor David Rhone
Taylor D. Sparks
author_facet Steven K. Kauwe
Trevor David Rhone
Taylor D. Sparks
author_sort Steven K. Kauwe
collection DOAJ
description Batteries are a critical component of modern society. The growing demand for new battery materials—coupled with a historically long materials development time—highlights the need for advances in battery materials development. Understanding battery systems has been frustratingly slow for the materials science community. In particular, the discovery of more abundant battery materials has been difficult. In this paper, we describe how machine learning tools can be exploited to predict the properties of battery materials. In particular, we report the challenges associated with a data-driven investigation of battery systems. Using a dataset of cathode materials and various statistical models, we predicted the specific discharge capacity at 25 cycles. We discuss the present limitations of this approach and propose a paradigm shift in the materials research process that would better allow data-driven approaches to excel in aiding the discovery of battery materials.
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spelling doaj.art-0bdea484a7d34ebaa6071226644abc412022-12-22T02:21:28ZengMDPI AGCrystals2073-43522019-01-01915410.3390/cryst9010054cryst9010054Data-Driven Studies of Li-Ion-Battery MaterialsSteven K. Kauwe0Trevor David Rhone1Taylor D. Sparks2Materials Science & Engineering Department, University of Utah, Salt Lake City, UT 84112, USAThe Department of Physics, Harvard University, Cambridge, MA 02138, USAMaterials Science & Engineering Department, University of Utah, Salt Lake City, UT 84112, USABatteries are a critical component of modern society. The growing demand for new battery materials—coupled with a historically long materials development time—highlights the need for advances in battery materials development. Understanding battery systems has been frustratingly slow for the materials science community. In particular, the discovery of more abundant battery materials has been difficult. In this paper, we describe how machine learning tools can be exploited to predict the properties of battery materials. In particular, we report the challenges associated with a data-driven investigation of battery systems. Using a dataset of cathode materials and various statistical models, we predicted the specific discharge capacity at 25 cycles. We discuss the present limitations of this approach and propose a paradigm shift in the materials research process that would better allow data-driven approaches to excel in aiding the discovery of battery materials.http://www.mdpi.com/2073-4352/9/1/54battery materialsmachine learningmaterials discovery
spellingShingle Steven K. Kauwe
Trevor David Rhone
Taylor D. Sparks
Data-Driven Studies of Li-Ion-Battery Materials
Crystals
battery materials
machine learning
materials discovery
title Data-Driven Studies of Li-Ion-Battery Materials
title_full Data-Driven Studies of Li-Ion-Battery Materials
title_fullStr Data-Driven Studies of Li-Ion-Battery Materials
title_full_unstemmed Data-Driven Studies of Li-Ion-Battery Materials
title_short Data-Driven Studies of Li-Ion-Battery Materials
title_sort data driven studies of li ion battery materials
topic battery materials
machine learning
materials discovery
url http://www.mdpi.com/2073-4352/9/1/54
work_keys_str_mv AT stevenkkauwe datadrivenstudiesofliionbatterymaterials
AT trevordavidrhone datadrivenstudiesofliionbatterymaterials
AT taylordsparks datadrivenstudiesofliionbatterymaterials