Bridging Data Center AI Systems with Edge Computing for Actionable Information Retrieval Publications 2021 3rd Annual Workshop on Extreme-scale Experiment-in-the-Loop Computing (XLOOP)
Machine learning dielectric screening for the simulation of excited state properties of molecules and materials† Publications The Journal of Chemical Science
Colmena: Scalable Machine-Learning-Based Steering of Ensemble Simulations for High Performance Computing Publications 2021 IEEE/ACM Workshop on Machine Learning in High Performance Computing Environments (MLHPC)
KAISA: an adaptive second-order optimizer framework for deep neural networks Publications SC '21: Proceedings of the International Conference for High Performance Computing, Networking, Storage and Analysis
Scale interactions and anisotropy in Rayleigh-Taylor turbulence Publications Journal of Fluid Mechanics
Scaling of Turbulent Viscosity and Resistivity: Extracting a Scale-dependent Turbulent Magnetic Prandtl Number Publications The Astrophysical Journal
Stability and molecular pathways to the formation of spin defects in silicon carbide Publications Nature Communications
I/O Bottleneck Detection and Tuning: Connecting the Dots using Interactive Log Analysis Publications 2021 IEEE/ACM Sixth International Parallel Data Systems Workshop (PDSW)
PDG: A Composite Method Based on the Resolution of the Identity Publications The Journal of Physical Chemistry A
Finding Druggable Sites in Proteins Using TACTICS Publications Journal of Chemical Information and Modeling