How the AI-assisted discovery and synthesis of a ternary oxide highlights capability gaps in materials science

Montoya, Joseph H.; Grimley, Carolyn; Aykol, Muratahan; Ophus, Colin; Sternlicht, Hadas; Savitzky, Benjamin H.; Minor, Andrew M.; Torrisi, Steven B.; Goedjen, Jackson; Chung, Ching-Chang; Comstock, Andrew H.; Sun, Shijing

doi:10.1039/D3SC04823C

Title: How the AI-assisted discovery and synthesis of a ternary oxide highlights capability gaps in materials science

Journal Article · 16 April 2024 · Chemical Science

DOI: https://doi.org/10.1039/D3SC04823C · OSTI ID:2326105

^[1]; Grimley, Carolyn ^[2]; Aykol, Muratahan ^[1]; Ophus, Colin ^[3];

^[4]; Savitzky, Benjamin H. ^[3]; Minor, Andrew M. ^[4];

^[1];

^[5]; Chung, Ching-Chang ^[2]; Comstock, Andrew H. ^[5]; Sun, Shijing ^[1]

Toyota Research Institute, Energy and Materials Division, Accelerated Materials Design and Discovery, USA
Lucideon, USA
National Center for Electron Microscopy (NCEM), Molecular Foundry, Lawrence Berkeley Lab, USA
National Center for Electron Microscopy (NCEM), Molecular Foundry, Lawrence Berkeley Lab, USA, Department of Materials Science and Engineering, University of California, Berkeley, USA
North Carolina State University, Department of Physics, USA

Exploratory synthesis has been the main generator of new inorganic materials for decades. AI-assisted discovery is possible, but human-AI collaboration should be refined according to their respective strengths.

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Research Organization:: Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Organization:: National Science Foundation (NSF); USDOE; USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities (SUF)

Grant/Contract Number:: AC02-05CH11231

OSTI ID:: 2326105

Journal Information:: Chemical Science, Journal Name: Chemical Science Journal Issue: 15 Vol. 15; ISSN 2041-6520; ISSN CSHCBM

Publisher:: Royal Society of Chemistry (RSC)Copyright Statement

Country of Publication:: United Kingdom

Language:: English

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