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Induction and Ferroelectric Switching of Flux Closure Domains in Strained PbTiO3 with Neural Network Quantum Molecular Dynamics

Publications Nano Letters

Large-Scale Molecular Dynamics Simulations of Bubble Collapse in Water: Effects of System Size, Water Model, and Nitrogen

Publications The Journal of Chemical Physics

The Future of Supercells in the United States

Publications Bulletin of the American Meteorological Society

Empowering Scientific Discovery through Computing at the Advanced Photon Source

Publications SC-W '23: Proceedings of the SC '23 Workshops of The International Conference on High Performance Computing, Network, Storage, and Analysis

Performance-Portable GPU Acceleration of the EFIT Tokamak Plasma Equilibrium Reconstruction Code

Publications SC-W '23: Proceedings of the SC '23 Workshops of The International Conference on High Performance Computing, Network, Storage, and Analysis

DrugImprover: Utilizing Reinforcement Learning for Multi-Objective Alignment in Drug Optimization

Publications NeurIPS 2023 Workshop on New Frontiers of AI for Drug Discovery and Development

Building the I (Interoperability) of FAIR for Performance Reproducibility of Large-Scale Composable Workflows in RECUP

Publications 2023 IEEE 19th International Conference on e-Science (e-Science)

FedCompass: Efficient Cross-Silo Federated Learning on Heterogeneous Client Devices Using a Computing Power-Aware Scheduler

Publications ICLR 2024

AI Ensemble for Signal Detection of Higher Order Gravitational Wave Modes of Quasi-Circular, Spinning, Non-Precessing Binary Black Hole Mergers

Publications 2023 Workshop on Machine Learning and the Physical Sciences

Numerical Relativity Higher Order Gravitational Waveforms of Eccentric, Spinning, Nonprecessing Binary Black Hole Mergers

Publications Physical Review D

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