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Research

Scale-Bridging Simulation of Functional Composites

ICAMS 2022

My current research focus is tuning the functional properties of ferroelectric materials especially through defect engineering. In my project, I perform coarse-grained molecular dynamics simulation using the effective Hamiltonian (W. Zhong, David Vanderbilt, and K. M. Rabe, Phys. Rev. B 52, 6301 (1995)), which is parametrized based on first-principles calculations. I am interested in programming (Command line, Python, git, Github/Gitlab), scale-bridging modeling, protocol design and open science.