APRIL 30, 2024 Conference Paper FASDA: An FPGA-Aided, Scalable and Distributed Accelerator for Range-Limited Molecular Dynamics ( Read More )
APRIL 20, 2024 Journal Article G0W0 Ionization Potentials of First-Row Transition Metal Aqua Ions ( Read More )
APRIL 20, 2024 Conference Paper Enabling Scalable VQE Simulation on Leading HPC Systems ( 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 12, 2024 Journal Article In-house synthesized poly(ether ether ketone) ionenes. II. ToF-SIMS spectra in the negative ion mode ( Read More )
APRIL 5, 2024 Journal Article Physics-Informed Gaussian Process Regression for States Estimation and Forecasting in Power Grids ( Read More )
MARCH 27, 2024 Journal Article Verification of a Modeling Toolkit for the Design of Building Electrical Distribution Systems ( Read More )
MARCH 21, 2024 Report Emerging Technologies Review: Water Reuse Systems for Cooling Tower Applications ( Read More )
MARCH 20, 2024 Journal Article Earth-system-model evaluation of cloud and precipitation occurrence for supercooled and warm clouds over the Southern Ocean's Macquarie Island ( 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 Mechanical ventilation and indoor air quality in recently constructed U.S. homes in marine and cold-dry climates ( Read More )
FEBRUARY 28, 2024 Journal Article Development of the tangent linear and adjoint models of the global online chemical transport model MPAS-CO2 v7.3 ( Read More )
FEBRUARY 22, 2024 Journal Article Erratum Breaking covalent bonds in the context of the many-body expansion (MBE). I. The purported “first row anomaly” in XHn (X = C, Si, Ge, Sn; n = 1–4) [J. Chem. Phys. 156, 244303 (2022)] ( Read More )
FEBRUARY 20, 2024 Journal Article Accurate calculation of many-body energies in water clusters using a classical geometry-dependent induction model ( Read More )
FEBRUARY 15, 2024 Conference Paper Predicting Building Envelope Construction from In-Situ Thermal Testing ( Read More )
FEBRUARY 15, 2024 Report The Energy and Operational Impacts of Using 0-10V Control for LED Streetlights ( Read More )
FEBRUARY 15, 2024 Journal Article Evaluating Uncertainty-Based Active Learning for Accelerating the Generalization of Molecular Property Prediction ( Read More )
FEBRUARY 15, 2024 Journal Article Triple excitations in Green's function coupled cluster solver for studies of strongly correlated systems in the framework of self-energy embedding theory ( Read More )