Electrostatic interaction in heterogeneous dielectric materials has important application in biological systems, e.g. charged macromolecules, and synthetic structures, e.g. self-assembled colloidal dispersions. Solving the associated electrostatic problem is challenging and necessitates advanced numerical techniques for efficient and accurate description of dielectric polarization, distribution of induced charges, and the forces acting on materials of interests. We are developing the Continuum-Particle Simulation Software (COPSS) that houses the parallel O(N) Poisson solver to address the above challenge. COPSS can be coupled with molecular and continuum simulations, to model materials influenced by electrostatic interactions at different length- and time-scales using high-performance computers. We also work on utilizing the tools we built to understand a variety of physical phenomena in which electrostatic polarization plays an important role.
Xikai grew up in Wuhan, China, where he graduated from Huazhong University of Science and Technology (HUST) with a B.S. in Engineering Mechanics in 2010. After spending more than two decades in his hometown, he went to the U.S. and graduated from Clemson University with a Ph.D. in Mechanical Engineering in 2014. Then he worked as a postdoctoral researcher in Argonne National Laboratory (ANL) from 2015 to 2016, and has continued his postdoctoral research in Prof. de Pablo's group from 2016 to the present. In his spare time, he likes going into the woods and mountains to enjoy nature.
- SSAGES: Software Suite for Advanced General Ensemble Simulations
- Parallel O(N) Stokes’ solver towards scalable Brownian dynamics of hydrodynamically interacting objects in general geometries
- An O(N) and parallel approach to integral problems by a kernel-independent fast multipole method: Application to polarization and magnetization of interacting particles