Multiscale Computer Simulation

Computer Simulation Tools [In-House Code]

Atomistic Level: Nonequilibrium Molecular Dynamics (NEMD) & Monte Carlo (MC)

Mesoscopic Level: Brownian Dynamics (BD) & Dissipative Particle Dynamics (DPD)

Mesoscopic Topological Analysis: Advanced Z1 Code, Surface Area & Penetration for Ring Polymer

Applicable to Other Simulation Tools: Quantum [Gaussian, DFT], Mesoscopic [Self-Consistent Field Theory (SCFT)], Continuum [COMSOL, Abaqus], and so on.