First-principles database for fitting a machine-learning silicon interatomic force field

Keyphrases

• Abstract Data Types 50%
• Atomic Force 100%
• Data-driven Machine Learning 50%
• Density Functional Theory 100%
• Electron Density 50%
• First-principles 100%
• Force Field 100%
• Interatomic Interaction 50%
• Machine Learning 100%
• Machine Learning Framework 100%
• Mathematical Model 50%
• Moment Tensor Potential 100%
• Quantum Mechanical 50%
• Semi-empirical Potential 50%

Material Science

• Density 100%
• Silicon 100%