Sheikha Lardhi

PhD Students


Research Interests

  • Analysis of ab initio molecular dynamic simulations of crystal-water interface interactions at microscopic level.
  • Density Functional Theory investigation of structural, electronic, optical, and energetic properties of materials used for water splitting.
  • Rational insights into the electronic origin of the enhanced visible-light photocatalytic activity in bulk systems using accurate first-principles quantum calculations based on DFT within screened coulomb hybrid HSE06.


  • M.Sc., Computer Science, KAUST, Thuwal, Saudi Arabia
  • B.Sc., Computer Information System, Prince Sultan University, Riyadh, Saudi Arabia

Scientific and Professional Membership

Association of Computing Machinery (ACM)

KAUST Affiliations

KAUST Catalysis Center (KCC)
Division of Physical Sciences and Engineering (PSE)

Research Interests Keywords

Material science Visible-light optical photoabsorption Water splitting Surface chemistry Density functional theory