de Pablo Group

Jiyuan Li

Jiyuan is from Beijing, China. He joined the de Pablo group in 2014 and got his Ph.D. degree in 2020. His research was focused on the development of numerical methods to solve hydrodynamic and electrostatic interactions in continuum simulations. Currently, he is working as a Data Scientist in the industry.

Dynamic behaviors of many biological, colloidal, and other soft matter systems are often driven by both electrostatic and hydrodynamic interactions(HIs). Challenges: 1) Polarization effects can significantly affect the electrostatic interactions in those systems where dielectric contrast between solute and solvent exists. However, for the complexities associated with the many-body nature of polarization, these effects are frequently ignored in computational modeling; 2) HIs are long-ranged thus making it even harder to solve the governing equations when studying the dynamic behavior of finite-size particles in confined flow. To address these challenges, the group employs a set of numerical methods to resolve both polarization effects and HIs, and develop powerful integrated simulation package that enables a better understanding of dynamic behaviors of particles, for example, cells, DNAs, in flow.

Evolutionary strategy for inverse charge measurements of dielectric particles

Jiang, Xikai, et al. "Evolutionary strategy for inverse charge measurements of dielectric particles." The Journal of chemical physics 148.23 (2018): 234302.

Ssages: Software suite for advanced general ensemble simulations

Sidky, Hythem, et al. "Ssages: Software suite for advanced general ensemble simulations." The Journal of chemical physics 148.4 (2018): 044104.

Parallel O(N) Stokes’ solver towards scalable Brownian dynamics of hydrodynamically interacting objects in general geometries

Zhao, Xujun, et al. "Parallel O (N) Stokes’ solver towards scalable Brownian dynamics of hydrodynamically interacting objects in general geometries." The Journal of chemical physics 146.24 (2017): 244114.

An O (N) and parallel approach to integral problems by a kernel-independent fast multipole method: Application to polarization and magnetization of interacting particles

Jiang, Xikai, et al. "An O (N) and parallel approach to integral problems by a kernel-independent fast multipole method: Application to polarization and magnetization of interacting particles." The Journal of Chemical Physics 145.6 (2016): 064307.

A theory of interactions between polarizable dielectric spheres

Qin, Jian, et al. "A theory of interactions between polarizable dielectric spheres." Journal of colloid and interface science 469 (2016): 237-241.