Physically informed artificial neural networks for atomistic modeling of materials
oleh: G. P. Purja Pun, R. Batra, R. Ramprasad, Y. Mishin
| Format: | Article |
|---|---|
| Diterbitkan: | Nature Portfolio 2019-05-01 |
Deskripsi
Traditional machine learning potentials suffer from poor transferability to unknown structures. Here the authors present an approach to improve the transferability of machine-learning potentials by including information on the physical nature of interatomic bonding.