🎓 Experience

Education

• Ph.D. in Computational Chemistry, University of Manchester, UK (2022 - Present)
  Advisor: Prof. Nikolas Kaltsoyannis
  Thesis: First-Principles Study of Helium Migration in Zirconolite
• M.S. in Chemical Technology, Tianjin University, China (2019 – 2022)
  Focus: DFT and microkinetic modeling of CO₂ hydrogenation on Ni–Mo catalysts
• B.E. in Chemical Engineering, China University of Petroleum (2015 – 2019)
  GPA: 3.7/4.0 (Top 1/28)

Research Experience

• University of Manchester (2022 - Present)
  Helium diffusion and defect-assisted transport in zirconolite using DFT, AIRSS, and CI-NEB; ML-based analysis of migration energetics.
• Tianjin University (2019 – 2022)
  CO₂ hydrogenation on MoOₓ–Ni catalysts via DFT and Python-based microkinetic modeling; developed structure–selectivity correlations and kinetic sensitivity analyses.
• Khalifa University (2019)
  Molecular simulation of amine-functionalized MOFs for post-combustion CO₂ capture using GCMC; evaluated adsorption isotherms, selectivity, and regenerability.