Research
Our group focuses on mesoscale modeling for multiphysical systems, using both top-down (from continuum PDEs to fluctuating dynamics) and bottom-up (coarse-grained molecular modeling) approaches. Mesoscale bridges molecular and continuum scales and hence provides a seamless link from the molecular regime towards the macro-continuum systems.
Numerical Methods:
Multiscale Lagrangian Meshless Methods
High Performance Computing Tools:
Applications:
ACS Energy Lett., 2017.)
Numerical Methods:
Multiscale Lagrangian Meshless Methods
- Smoothed particle hydrodynamics (SPH)
- Moving least square (MLS)
- Coarse-grained molecular dynamics, Generalized Langevin Dynamics
- (Anisotropic) single-particle dissipative particle dynamics (s-DPD, a-DPD)
High Performance Computing Tools:
- Highly scalable implementation of the developed numerical methods in LAMMPS
Applications:
- Complex fluids
- Soft matter
- Energy storage materials
ACS Energy Lett., 2017.)
- Manufacturing
- Multiphase flows