How to represent crystal structures for machine learning: Towards fast prediction of electronic properties

Keyphrases

• Machine Learning 100%
• Electronic Properties 100%
• Fast Prediction 100%
• Density Functional Calculations 50%
• Prediction Accuracy 50%
• High-throughput 50%
• Local Spin Density Approximation 50%
• Training Set 50%
• Fermi Energy 50%
• Arbitrary Units 50%
• Machine Learning Approach 50%
• Coulomb Matrix 50%
• Approximate Calculation 50%
• Structure Representation 50%
• Electronic Density of States 50%
• Learning Prediction 50%
• Unit Cell Size 50%
• Learning Machine 50%
• Solid-state Properties 50%
• Competitive Prediction 50%
• Throughput Density 50%

Material Science

• Density 100%
• Electronic Property 100%
• Crystal Structure 100%

Chemical Engineering

• Learning System 100%