MAY 15, 2024 Journal Article Proteomics identifies complement protein signatures in patients with alcohol-associated hepatitis ( Read More )
MAY 10, 2024 Journal Article First principles simulations of MgO (100) surface hydration at ambient conditions ( Read More )
MAY 7, 2024 Conference Paper Expanding the access of wearable silicone wristbands in community-engaged research through best practices in data analysis and integration ( 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 Meeting Report on the 3rd Chinese American Society for Mass Spectrometry Conference - Advancing Biological and Pharmaceutical Mass Spectrometry ( 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 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 11, 2024 Journal Article A compendium of multi-omics data illuminating host responses to lethal human virus infections ( Read More )
APRIL 11, 2024 Journal Article Viral afterlife: SARS-CoV-2 as a reservoir of immunomimetic peptides that reassemble into proinflammatory supramolecular complexes ( Read More )
MARCH 22, 2024 Report Data Quality Objectives Supporting Radiological Air Emissions Monitoring for the PNNL-Richland Campus: Rev. 3, North Campus Construction ( 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 )
MARCH 13, 2024 Journal Article Longitudinal analysis of host protein serum signatures of treatment and recovery in pulmonary tuberculosis ( 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 17, 2024 Journal Article Ex vivo to in vivo model of malignant peripheral nerve sheath tumors for precision oncology ( Read More )
FEBRUARY 17, 2024 Journal Article Endogenous adenine mediates kidney injury in diabetic models and predicts diabetic kidney disease in patients ( Read More )