MAY 19, 2024 Report Electrical Resistivity Tomography Monitoring of In Situ Soil Flushing at the Hanford 100-K East Area: 100KE Soil Flushing Monitoring ( Read More )
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 Managing reservoir dynamics when converting natural gas fields to underground hydrogen storage ( 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 18, 2024 Journal Article Resolving nanoscale processes during carbon mineralization using identical location transmission electron microscopy ( 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 17, 2024 Report Advanced Mineral Extraction and Water Processing: Application Development of Mesofluidic Separation Technology ( 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 Journal Article Enhanced Transport of TiO2 in Unsaturated Sand and Soil after Release from Biodegradable Plastic during Composting ( Read More )
MARCH 29, 2024 Journal Article Incorporation of actinides into iron (oxyhydr)oxides: a long-term environmental barrier to radionuclide migration ( Read More )
MARCH 28, 2024 Journal Article Relationship Between Isotope Ratios in Precipitation and Stream Water Across Watersheds of the National Ecological Observation Network ( Read More )
MARCH 28, 2024 Journal Article Impacts of permeability heterogeneity and background flow on supercritical CO2 dissolution in the deep subsurface ( 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 )
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 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 )