Xuecheng Shao
Professor @JLU.
Research Interests
- Development of electronic structure methods and software for large-scale ab-initio materials simulations.
- Development of complex crystal structure prediction methods and software.
- Materials simulation based on density functional theory.
- Investigating the physical and chemical properties of materials.
news
Dec 14, 2023 | Machine learning electronic structure methods paper published. |
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Oct 07, 2023 | DFTpy version 2.1.0 has been released. |
Sep 20, 2023 | QEpy version 6.5.0 has been released. |