Accuracy, Transferability, and Computational Efficiency of Interatomic Potentials for Simulations of Carbon Under Extreme Conditions Publications The Journal of Chemical Physics
Extreme Metastability of Diamond and its Transformation to the BC8 Post-Diamond Phase of Carbon Publications The Journal of Physical Chemistry Letters
Expediting Higher Fidelity Plasma State Reconstructions for the DIII-D National Fusion Facility Using Leadership Class Computing Resources Publications SC24-W: Workshops of the International Conference for High Performance Computing, Networking, Storage and Analysis
Quantum-Enhanced Photoprotection in Neuroprotein Architectures Emerges from Collective Light-Matter Interactions Publications Frontiers in Physics
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