Machine Learning a General-Purpose Interatomic Potential for Silicon
The success of first-principles electronic-structure calculation for predictive modeling in chemistry, solid-state physics, and materials science is constrained by the limitations on simulated length scales and timescales due to the computational cost and its scaling. Techniques based on machine-lea...
| Main Authors: | , , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
American Physical Society
2018-12-01
|
| Series: | Physical Review X |
| Online Access: | http://doi.org/10.1103/PhysRevX.8.041048 |