个人简介
Computer Codes
- LAMMPS-RBE: Random batch Ewald is a fast algorithm for electrostatic interactions in molecular dynamics simulations. A brief introduction of this algorithm can be found at link. The CPU version of the package is now available for tests at the πcluster.
- 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: Matlab code for SOE and SOG approximations using de la Vallée-Poussin sums – based model reduction.
Links:
SJTU: Map, Math, INS, Zhiyuan, Phys, Library, Home
Institutions: IMA, IPAM, ICERM, ICMSEC, BICMR
Preprints: SoftMatter, CompPhys, ChemPhys, NumAnal
Journals: SIAM, APS, AnnualReviews, NewScientist, MathCulture, SciAmerican, Other Journals
研究领域
查看导师新发文章
(温馨提示:请注意重名现象,建议点开原文通过作者单位确认)
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