Ling Group · 2026–present
Mo migration in MoS₂/WS₂ heterostructures
Using DFT and CI-NEB to explore vacancy-mediated Mo transport and interfacial substitution during ammonia-driven nitridation.
Research
Research
My research has moved between computational chemistry, materials science, and molecular simulation. Across these projects, I keep coming back to the same idea: use simulation to understand the molecular-scale processes that are difficult to see directly in experiments.
Open project →
Straub Group · 2025–present
Martini 3 / DPC micelles
Refining a coarse-grained DPC model against micelle aggregation behavior and SANS, then checking the model at atomistic resolution.
Gopalan Group · 2025
Perovskite interfaces & solid oxide cells
Combining synthesis and characterization with CHGNet simulations to understand degradation and ion migration in perovskites.
Research interests
Current appointments
Ling Group
Computational materials chemistry · Prof. Xi Ling
Straub Group
Molecular simulation · Prof. John Straub
Gopalan Group
Solid oxide cell research · Prof. Srikanth Gopalan