I visited the Organic Electronics group of Dr. Denis Andrienko at the Max Planck Institute for Polymer Research (MPIP) during the summer of 2025 (July-August) for a two-month research stay. My work during this period focused on the coarse-graining of polymer structures and the calculation of superexchange coupling in donor-acceptor copolymers.
In 2023, I received my bachelor's degree from the Department of Chemical and Materials Engineering at National Central University. I am currently pursuing a PhD in Prof. Kun-Han Lin's group (Lab for Material and Molecular Design) at National Tsing Hua University.
My research aims to uncover the microscopic mechanism of photocatalytic hydrogen evolution reaction (PHER) through multiscale simulation approaches. The main goal is to establish a comprehensive computational protocol for evaluating the charge carrier mobility in polymer materials. This involves three key steps: (1) constructing realistic polymer bulk structures, (2) calculating charge transfer rates via Marcus theory, and (3) performing kinetic Monte Carlo simulations to estimate bulk mobility. Ultimately, this protocol will be applied to various polymer systems to support rational molecular design strategies. In addition to mobility calculations, I am also investigating polymer-solution interfacial interactions using molecular dynamics simulations, as well as exploring the hydrophilicity of zwitterionic polymers through machine learning potentials.