ab initio materials modeling

Qi Zhang, Chaoxuan Gu, Jingyi Zhuang, Renata M. Wentzcovitch. ab initio materials modeling. Computer Physics Communications, 282:108515, 2023. [doi]

@article{ZhangGZW23,
  title = {ab initio materials modeling},
  author = {Qi Zhang and Chaoxuan Gu and Jingyi Zhuang and Renata M. Wentzcovitch},
  year = {2023},
  doi = {10.1016/j.cpc.2022.108515},
  url = {https://doi.org/10.1016/j.cpc.2022.108515},
  researchr = {https://researchr.org/publication/ZhangGZW23},
  cites = {0},
  citedby = {0},
  journal = {Computer Physics Communications},
  volume = {282},
  pages = {108515},
}