Quantum Chemistry-Informed Active Learning to Accelerate the Design and Discovery of Sustainable Energy Storage Materials

Keyphrases

• Quantum Chemistry 100%
• Active Learning 100%
• Energy Storage Materials 100%
• Sustainable Energy Storage 100%
• Ether 50%
• Oxidation Potential 50%
• Learning Model 50%
• Density Functional Theory 25%
• Density Functional Calculations 25%
• Selection Strategy 25%
• Minimal number 25%
• Efficiency Improvement 25%
• Robust Capability 25%
• Chemical Space 25%
• Random Selection 25%
• Generated Data 25%
• Bayesian Optimization 25%

Chemistry

• Quantum Chemistry 100%
• Oxidation Potential 100%
• Energy Storage 100%
• Density Functional Theory 50%
• Density Functional Theory 50%