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Machine-Learning Electron Dynamics with Moment Propagation Theory: Application to Optical Absorption Spectrum Computation Using Real-Time TDDFT

Publications Journal of Chemical Theory and Computation

AERIS: Argonne Earth Systems Model for Reliable and Skillful Predictions

Publications SC '25: Proceedings of the International Conference for High Performance Computing, Networking, Storage and Analysis

Toucan: A Performance Portable, Scalable Implementation of the DECA Algorithm

Publications Computational Materials Science

ExaCA v2.0: A Versatile, Scalable, and Performance Portable Cellular Automata Application for Additive Manufacturing Solidification

Publications Computational Materials Science

Cosmological Hydrodynamics at Exascale: A Trillion-Particle Leap in Capability

Publications SC '25: Proceedings of the International Conference for High Performance Computing, Networking, Storage and Analysis

Sketch-Augmented Features Improve Learning Long-Range Dependencies in Graph Neural Networks

Publications NeurIPS 2025: The Thirty-Ninth Annual Conference on Neural Information Processing Systems

Quality Measures for Dynamic Graph Generative Models

Publications ICLR 2025: The Thirteenth International Conference on Learning Representations

A Deep Probabilistic Framework for Continuous Time Dynamic Graph Generation

Publications Proceedings of the AAAI Conference on Artificial Intelligence

Performance-Portable Binary Neutron Star Mergers with AthenaK

Publications The Astrophysical Journal

Precision Measurement of Neutrino Oscillation Parameters with 10 Years of Data from the NOvA Experiment

Publications Physical Review Letters

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