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

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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