MAY 10, 2024 Journal Article First principles simulations of MgO (100) surface hydration at ambient conditions ( Read More )
APRIL 30, 2024 Conference Paper FASDA: An FPGA-Aided, Scalable and Distributed Accelerator for Range-Limited Molecular Dynamics ( Read More )
APRIL 26, 2024 Journal Article Weather Systems Connecting Modes of Climate Variability to Regional Hydroclimate Extremes ( Read More )
APRIL 26, 2024 Conference Paper A Novel Spatial-Temporal Variational Quantum Circuit to Enable Deep Learning on NISQ Devices ( Read More )
APRIL 20, 2024 Conference Paper Enabling Scalable VQE Simulation on Leading HPC Systems ( Read More )
APRIL 20, 2024 Journal Article G0W0 Ionization Potentials of First-Row Transition Metal Aqua Ions ( Read More )
APRIL 20, 2024 Report Visualizing Uranium Crystallization from Melt: Experiment-Informed Phase Field Modeling and Machine Learning ( Read More )
APRIL 20, 2024 Journal Article Cavity Quantum Electrodynamics Complete Active Space Configuration Interaction Theory ( Read More )
APRIL 17, 2024 Journal Article Integrated quantum-classical protocol for the realistic description of solvated multinuclear mixed-valence transition-metal complexes and their solvatochromic properties ( Read More )
APRIL 13, 2024 Journal Article Development and Application of Hybrid AIMD/cDFT Simulations for Atomic-to-Mesoscale Chemistry ( Read More )
APRIL 4, 2024 Journal Article Leveraging Artificial Intelligence to Expedite Antibody Design and Enhance Antibody-Antigen Interactions ( Read More )
APRIL 2, 2024 Journal Article Fine-tuning TrailMap: The utility of transfer learning to improve the performance of deep learning in axon segmentation of light-sheet microscopy images ( Read More )
MARCH 28, 2024 Conference Paper AutoReP: Automatic ReLU Replacement for Fast Private Network Inference ( Read More )
MARCH 15, 2024 Journal Article Feature-adjacent multi-fidelity physics-informed machine learning for partial differential equations ( Read More )
MARCH 15, 2024 Journal Article Acceleration of Graph Neural Network-based Prediction Models in Chemistry via Co-design Optimization on Intelligence Processing Units ( Read More )
MARCH 14, 2024 Journal Article Evaluation of longitudinal double-spin asymmetry measurements in semi-inclusive deep-inelastic scattering from the proton for the ECCE detector design ( Read More )
FEBRUARY 24, 2024 Journal Article Detector requirements and simulation results for the EIC exclusive, diffractive and tagging physics program using the ECCE detector concept ( Read More )
FEBRUARY 23, 2024 Conference Paper Developing a Disaster-Ready Power Grid Agent Through Geophysically-Informed Fault Event Scenarios ( Read More )