MAY 10, 2024 Journal Article A Dislocation Density-Based Meshfree Computational Framework for Solid Phase Processing ( Read More )
MAY 10, 2024 Journal Article First principles simulations of MgO (100) surface hydration at ambient conditions ( Read More )
MAY 10, 2024 Journal Article Topology Property Analysis and Application of Stable Time-Delay Regions for Linear Multiple Time-Delay Systems ( Read More )
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APRIL 23, 2024 Conference Paper A Reference Implementation for a Quantum Message Passing Interface ( Read More )
APRIL 20, 2024 Conference Paper cuAlign: Scalable Network Alignment on GPU Accelerators ( 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 Citizen and machine learning-aided high-resolution mapping of urban heat exposure and stress ( Read More )
APRIL 17, 2024 Report UQ4QM: Uncertainty Quantification for Quantum Materials - Final Report to Chemical Dynamics Initiative ( 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 5, 2024 Conference Paper Geodesic-based relaxation for deep canonical correlation analysis ( Read More )
APRIL 3, 2024 Report Domain Aware Deep-learning Algorithms Integrated with Scientific-computing Technologies (DADAIST) ( Read More )