Machine learning the metastable phase diagram of covalently bonded carbon
oleh: Srilok Srinivasan, Rohit Batra, Duan Luo, Troy Loeffler, Sukriti Manna, Henry Chan, Liuxiang Yang, Wenge Yang, Jianguo Wen, Pierre Darancet, Subramanian K.R.S. Sankaranarayanan
| Format: | Article |
|---|---|
| Diterbitkan: | Nature Portfolio 2022-06-01 |
Deskripsi
Exploration of metastable phases of a given elemental composition is a data-intensive task. Here the authors integrate first-principles atomistic simulations with machine learning and high-performance computing to allow a rapid exploration of the metastable phases of carbon.