I am a chemical engineer and computational materials researcher working at the intersection of first-principles modelling, machine learning and scientific software. I served as Co-Principal Investigator and Computational Lead on two externally funded R&D projects in energy storage and engineering systems. My work covers DFT, AIMD, NEB, active learning, uncertainty quantification, ML interatomic potentials, high-throughput screening and computational-to-experimental validation. I develop ActiStruct for reliability-aware materials discovery and nebwalk for MLIP-assisted reaction and diffusion pathways. I seek to help academic and industrial teams accelerate battery, hydrogen-storage, 2D-material and porous-material R&D through predictive modelling and reproducible workflows.