I am a Research Area Specialist working with Sharon C. Glotzer in the Glotzer Group at the University of Michigan. I study soft matter systems - hard particle self-assembly, polymer self-assembly, active matter, melting in two dimensions and other related topics.
I design and develop particle simulation and analysis software. Some of the tools I develop are open source and in use by thousands, other are in house group codes used by Glotzer group. I apply modern software engineering practices to all codes I develop, including good object oriented design, extensive unit tests, and comprehensive documentation.
BVH trees for neighbor lists
We implement a bounding volume hierarchy (BVH) acceleration structure for efficient neighbor searching in molecular dynamics simulations. The BVH structure allows fast lookup of neighbors even when particle size disparity is very large, enabling research that was previously inconceivable due to slow cell list performance.
We investigate a class of "shape allophiles" that fit together like puzzle pieces as a method to access and stabilize desired structures by controlling directional entropic forces. We examine the assembly characteristics of this system via the potential of mean force and torque, and the fraction of particles that entropically bind.
Strong scaling MD on GPUs
We impelment multi-GPU scaling in HOOMD-blue, available open source starting in v1.0. Strong scaling is enabled with GPU optimized communication routines, including optional use of GPUDirect RDMA. We demonstrate scaling of a 108 million particle system to more than 3000 nodes on Titan.