With expertise in scientific programming, especially in Python and HPC, I am the lead developer of the ChemShell project. I of course contribute to other software programs developed in Daresbury, too. And as a Senior Computational Scientist of the Computational Chemistry Group, my responsibility also includes conducting collaborative scientific research in biomolecular and materials science by means of simulations.
I obtained my B.Sc. from Peking University, with the undergraduate research and thesis supervised by Prof. Yun-Dong Wu. My doctoral study, majoring in semiempirical methods development and excited state simulations, was completed under the supervision of Prof. Walter Thiel at Max-Planck-Institut für Kohlenforschung. Before joining Daresbury Laboratory, I worked at the Amsterdam Density Functional company (SCM) as a Marie-Curie Fellow on implementation of time-dependent DFTB and dispersion methods.