The USERMESO package is a GPU-accelerated extension of the LAMMPS simulator that I developed for Dissipative Particle Dynamics. Many algorithmic innovations were incorporated, e.g. an atomics-free neighbor list constructor and specialized transcendental functions. It scales over thousands of nodes and is more than 20 times faster on one GPU over tens of CPU cores.
Multiscale Universal Interface
The MUI project aims to address the difficulty in implementing concurrently coupled multiscale simulations by providing a very simple, yet powerful, set of interfaces for inter-solver communications. By introducing the concept of data points and data sampler, MUI allows information to be extracted by giving the user the freedom to choose their own interpolation or interpretation scheme.
OpenRBC is a coarse-grained molecular dynamics code for simulating entire human red blood cells at the protein resolution. It is one of the winners in the IBM OpenPower Developer Challenge competition. The code outperforms a legacy solver by 10 times in time-to-solution through the use of an novel adaptive spatial searching algorithm to accelerate the computation of short-range pairwise interactions in an extremely sparse 3D space.
uDeviceX is an open-source DPD simulator for simulating cell-sorting microfluidic devices for cancer therapeutics. It is able to predict the behavior of blood cells in biomedical microfluidic devices at subcellular resolution using Dissipative Particle Dynamics simulations. It was nominated as a finalist of the 2015 ACM Gordon Bell Prize for unprecedented simulation of a full-size microfluidic device at exactly the experimental length and time scale.