Theoretical Modelling

  • Theoretical modelling

Computational calculation and modelling is carried out to assist in the interpretation, visualization and understanding of experimental results when needed. Although not a dedicated coder, I have some basic knowledge in the use of Matlab, python, bash, Java, C, C++, and LaTeX. I developed my own code for the simulation of a diffusion-reaction system, which can be used to extract diffusion and reaction constants from time-resolved Raman data that records a transition due to a travelling ionic wave. Another example is the equivalent circuit modelling of impedance spectroscopy data that reveals physical parameters pertaining to nanostructure-electrochemical cell performance.

Relevant publications:
Angew. Chem. Int. Ed.201756, 5001.
Adv. Energy Mater.20133, 1368.