Accelerating a Biophysics Problem: 14 hours to 46 seconds

Accelerating Prediction of Chemical Shift of Protein Structures: Won 2019 one of the 6 ISC Best Poster Awards. This project uses state-of-the-art NVIDIA V100 GPUs and the acceleration brought down the time taken from 14 hours to 46 seconds. [For more check out our Biorxiv preprint]: (

Accelerating a Nuclear Physics problem on GPUs

Sunita Chandrasekaran and her doctoral student Robert Searles have accelerated a nuclear reactor-based miniapp, Minisweep using OpenACC on GPUs. The paper is accepted to be published in PASC 2018. For more see UDaily and OLCF news.