High performance computing of complex particle interaction and continuum theory in soft matter science - Prof. Xu Zhenli, Institute of Natural Sciences and Department of Mathematics
Project:  High performance computing of complex particle interaction and continuum theory in soft matter science
Abstract:  The research of our team focuses on theory and algorithm for solving complex problems arising from soft matter physics, electrochemistry and biophysics. In particular, our research puts emphasis on the understanding of charged systems including different interfaces such as colloids, polyelectrolytes, membranes, and ionic liquids by high performance computing.
We develop particle-based computer simulation tools such as Monte Carlo methods for mesoscopic ionic fluids by efficiently treating boundary and interface conditions, e.g., we have developed image charge methods for multiple dielectric spheres, and multiscale reaction-field algorithms for non-neutral charged systems in the presence of highly charged interfaces.
Besides computer simulations, we are also developing grid-based numerical methods for continuum models where particle-particle correlations are included, such as variational field-theoretical model and ionic density functional theory.
Research team: 
  1. Zecheng Gan, PhD student, Department of Mathematics
  2. Daming Li, Associate Professor, Department of Mathematics
  3. Pei Liu, PhD student, Department of Mathematics
  4. Yihao Liang, PhD student, Department of Physics and Astronomy
  5. Manman Ma, Postdoctoral fellow, Institute of Natural Sciences
  6. Xiangjun Xing, Professor, Institute of Natural Sciences/Physics and Astronomy
  7. Zhenli Xu (Project PI), Associate Professor, Institute of Natural Sciences/Mathematics
  8. Wenjun Ying, Associate Professor, Institute of Natural Sciences/Mathematics

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