Research Interests - Methods in molecular dynamics and Monte Carlo simulations
- Numerical methods for partial differential equations
- Modeling and computation for many-body systems
- Fast algorithms for large-scale scientific computing
Curriculum Vitae
Research Group
Opening positions:Postdoctoral positions are available to participate in the exploration of fast algorithms and machine-learning methods for molecular dynamics and plasma simulations, and their applications such as in energy materials. Please contact me by email for details.
Publications
Computer Codes -SOG-Net: Machine-learning interatomic potential for long-range systems.
-RBMD: Random batch molecular dynamics package for simulating atomic systems.
-LAMMPS-RBE: Random batch Ewald is a fast algorithm for electrostatic interactions in molecular dynamics simulations.
-HSMA3D and HSMA2D: Harmonic surface mapping algorithm for electrostatic interaction in MD simulations of particle systems of 3D periodicity (HSMA3D) or doubly periodic slit with dielectric interfaces along one direction (HSMA2D).
-HybridMD: MD package for simulating nanoparticle self-assembly. It is based on a novel hybrid ICM/moment method for fast and accurate calculation of the Poisson��s equation with closely-packed dielectric spheres and ions. -VPMR:Matlabcode for SOE and SOG approximations using de laVall��e-Poussinsums �C based model reduction. See also:C++ versiondeveloped bybyTheodore Chang from HU Berlin, andJulia versiondeveloped byXuanzhaoGao from HKUST.
|
