Learning from data to design functional materials without inversion symmetry
oleh: Prasanna V. Balachandran, Joshua Young, Turab Lookman, James M. Rondinelli
| Format: | Article |
|---|---|
| Diterbitkan: | Nature Portfolio 2017-02-01 |
Deskripsi
Computational design of functional materials with broken inversion symmetry is a complex task. Here, the authors demonstrate an approach that integrates symmetry analysis, data science methods, and density functional theory to accelerate the selection and identification process in complex oxides.