🎓 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 COâ‚‚ capture using GCMC; evaluated adsorption isotherms, selectivity, and regenerability.
