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Yao Wei

Yao Wei

PhD Student

Research interests

  • Physics

Contact details


Yao Wei was born in Yichang, Hubei, China, in 1995. He received a BSc degree in electrical engineering and automation from Ludong University, Yantai, China, and a MSc degree in electronic engineering with management from King's College London, in 2018 and 2019, respectively.

His primary research interests include using Dynamical Mean Field Theory (DMFT) on a variety of strongly correlated systems, from simple models to real materials. On d- and f-electronic systems, DMFT can both qualitatively and quantitatively improve upon the predictions made by popular Density Functional Theory (DFT), and even DFT+GW, by including the many-body strong correlation effects. Another aspect of his research is to use Non-Equilibrium Green’s Function-based methods with a combination of DFT and DMFT to investigate Quantum Transport on f-systems. His work involves using many electronic structure codes, namely: CASTEP, QE, VASP on various High-Performance Computing Platforms like Archer, CSD3, Gravity (King's), Rosalind (King's), Thomas (UCL), etc.

Inspired by the recent advances in the field, Yao would like to look at the use of machine learning to build a materials database, and possibly to venture out into the exciting realm of quantum computing. Also, he would like to do research about theoretical simulations of STM and Non-Contact AFM imaging of crystal surfaces, manipulation of atoms and molecules by means of STM and AFM, surface defects and adsorbed species.

Thesis title

Using density functional theory and dynamical mean-field theory to explore room-temperature superconducting materials.

Research interests

  • First-principles modelling of electronics.
  • spectroscopic characterization of materials.
  • Strongly correlated systems.
  • Application of quantum computing to material simulation and comparison to classical computer models.

PhD supervisor

Principal supervisor: Professor Lev Kantorovich

Further information

Research profile