Ultraviolet Superradiance from Mega-Networks of Tryptophan in Biological Architectures Publications The Journal of Physical Chemistry B
Performance Characterization and Provenance of Distributed Task-Based Workflows on HPC Platforms Publications SC24-W: Workshops of the International Conference for High Performance Computing, Networking, Storage and Analysis
Accelerating Multiscale Electronic Stopping Power Predictions with Time-Dependent Density Functional Theory and Machine Learning Publications npj Computational Materials
Employing Artificial Intelligence to Steer Exascale Workflows with Colmena Publications The International Journal of High Performance Computing Applications
Emin: A First-Principles Thermochemical Descriptor for Predicting Molecular Synthesizability Publications Journal of Chemical Information and Modeling
WActiGrad: Structured Pruning for Efficient Finetuning and Inference of Large Language Models on AI Accelerators Publications Euro-Par 2024: Parallel Processing
Portable Cross-Facility Workflows for X-Ray Ptychography Publications SC24-W: Workshops of the International Conference for High Performance Computing, Networking, Storage and Analysis
Equilibrium and Nonequilibrium Ensemble Methods for Accurate, Precise and Reproducible Absolute Binding Free Energy Calculations Publications Journal of Chemical Theory and Computation
LLM-Inference-Bench: Inference Benchmarking of Large Language Models on AI Accelerators Publications SC24-W: Workshops of the International Conference for High Performance Computing, Networking, Storage and Analysis
Comet: Development of an Unstructured Mesh Direct Simulation Monte Carlo Code on GPUs Publications AIAA Aviation Forum and Ascend 2024
