Post Doctoral Research Associate
University of Tennessee at Knoxville
- Preparing molecular dynamics (MD) simulations for the exascale (10^18 FLOPS) computing machines of the future. This is achieved by developing tools that mitigate the issue of MD simulations producing data at a higher rate than it can be written to disk for analysis as a result of the dichotomy in the rate at which FLOPS and I/O OPS capability of high-performance computers is growing. These tools allow in-situ analysis of the MD data at a higher resolution than was possible using traditional post-hoc analysis and saving only necessary data that will be required for further analysis or for continuing simulations.
- Responsible for coordinating an NSF funded multi-university collaborative project (analytics4md.org).