Simulating and modeling complex systems.

Nanoscale Theory, Modeling and Simulation


The common theme of the members of this thrust area is to study complex phenomena in nanoscience research through theoretical and computational and  simulation. The current research activities in the group include: quantum chemistry, algorithm development and analysis, pattern recognition and visualization, Monte Carlo, MD, Ab initio simulation of complex material systems, multiscale modeling and simulation of molecular structures, self-assembly phenomena, and mesoscale structure in complex fluids/soft matter, high performance computing, and GPU computing. The thrust actively seeks interdisciplinary interaction with other thrust areas within the NanoCenter and outside groups. 

Numerical Simulation of Biofilm Growth.  Left: pressure field; Middle: velocity components; Bottom: biofilm profile. (Qi Wang and Tianyu Zhang)