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Holistic computational structure screening of more than 12 000 candidates for solid lithium-ion conductor materials
Abstract
We leverage available data and statistical learning methods to perform a holistic screening for promising new solid electrolytes.
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The authors find 528 promising Li-ion conductors among GNoME discoveries, a 25 times increase compared with the original study.
“Similarly, following a holistic screening approach with filters such as exclusion of transition metals or by lithium fraction, we find 528 promising Li-ion conductors among GNoME discoveries, a 25 times increase compared with the original study46.”
From Scaling deep learning for materials discovery (2023) · cites this paper as [46]
The estimated number of viable Li-ion conductors reported in the main part of the paper is derived using the methodology in ref. 46 in a high-throughput fashion.
“The estimated number of viable Li-ion conductors reported in the main part of this paper is derived using the methodology in ref. 46 in a high-throughput fashion.”
From Scaling deep learning for materials discovery (2023) · cites this paper as [46]
Citations
Cites
Commentary: The Materials Project: A materials genome approach to accelerating materials innovation
Jain, A., Ong, S. P., Hautier, G., Chen, W., Richards, W. D., Dacek, S., Cholia, S., Gunter, D., Skinner, D., Ceder, G., et al. (2013) · APL Materials · doi:10.1063/1.4812323 · Cited by 13,094
Ageing mechanisms in lithium-ion batteries
Vetter, J., Novák, P., Wagner, M. R., Veit, C., Möller, K.-C., Besenhard, J. O., Winter, M., Wohlfahrt-Mehrens, M., Vogler, C., & Hammouche, A. (2005) · Journal of Power Sources · doi:10.1016/j.jpowsour.2005.01.006 · Cited by 3,987
Interface Stability in Solid-State Batteries
Richards, W. D., Miara, L. J., Wang, Y., Kim, J. C., & Ceder, G. (2016) · Chemistry of Materials · doi:10.1021/acs.chemmater.5b04082 · Cited by 1,652
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Metadata
- Authors
- Sendek, A. D., Yang, Q., Cubuk, E. D., Duerloo, K.-A. N., Cui, Y., & Reed, E. J.
- Affiliations
- Stanford University (US)
- Corresponding author
- Reed, Evan J.
- Venue
- Energy & Environmental Science
- Publisher
- Royal Society of Chemistry (RSC)
- Published
- 2017
- Volume
- 10
- Issue
- 1
- Pages
- 306-320
- ISSN
- 1754-5692 (ISSN-L)
- 1754-5706
- OpenAlex
- W2559612475
- Cited by
- 448
- References
- 3
- Citations by year
- 2026: 67 · 2025: 53 · 2024: 59 · 2023: 52 · 2022: 54 · 2021: 49 · 2020: 47 · 2019: 28 · 2018: 32 · 2017: 7
- FWCI
- 8.60
- Type
- journal article
- Language
- en
- Open access
- closed
- Locations
- Energy & Environmental Science (publishedVersion)
- Topics
- Physical Sciences › Materials Science › Materials Chemistry › Machine Learning in Materials Science
- Physical Sciences › Engineering › Electrical and Electronic Engineering › Advanced Battery Materials and Technologies
- Physical Sciences › Engineering › Electrical and Electronic Engineering › Advancements in Battery Materials
- Keywords
- solid electrolytes, lithium-ion conductors, materials screening, computational materials design, statistical learning, high-throughput screening, ionic conductivity
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