Zero-Shot Discovery of High-Performance, Low-Cost Organic Battery Materials Using Machine Learning

Organic electrode materials (OEMs), composed of abundant elements such as carbon, nitrogen, and oxygen, offer sustainable alternatives to conventional electrode materials that depend on finite metal resources. The vast structural diversity of organic compounds provides a virtually unlimited design s...

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Bibliographic Details
Main Author:	Jaehyun Park (2402962) (author)
Other Authors:	Farshud Sorourifar (14553482) (author), Madhav R. Muthyala (20026184) (author), Abigail M. Houser (20026187) (author), Madison Tuttle (20026190) (author), Joel A. Paulson (1631845) (author), Shiyu Zhang (372275) (author)
Published:	2024
Subjects:	Biochemistry Medicine Pharmacology Science Policy Infectious Diseases Biological Sciences not elsewhere classified Chemical Sciences not elsewhere classified Information Systems not elsewhere classified vast structural diversity simultaneously balance reward organic compounds provides offer sustainable alternatives human intuition alone finite metal resources conventional electrode materials combines computational chemistry 000 organic compounds performing oems among oems ), composed solubility ), oems selected discovered oems among sparkle synthesizability ). six years shot predictions shot discovery new framework molecular generation machine learning fold improvement extrapolation tasks experimental testing error approaches edisonian trial cycling stability cell batteries abundant elements
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Zero-Shot Discovery of High-Performance, Low-Cost Organic Battery Materials Using Machine Learning

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