FEBRUARY 15, 2024 Book Chapter Harness the power of atomistic modeling and deep learning in biofuel separation ( 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 A Perspective on Sustainable Computational Chemistry Software Development and Integration ( Read More )
OCTOBER 25, 2023 Journal Article Quantifying the impact of electric fields on the local structure and migration of potassium ions at the orthoclase (001) surface ( Read More )
OCTOBER 24, 2023 Report Investigating carbon stabilization in soils via mineral adsorption: What are we missing when we define mineral associated organic matter. ( Read More )
OCTOBER 14, 2023 Journal Article Accumulation mechanisms for contaminants on weak-base hybrid ion exchange resins ( Read More )
OCTOBER 10, 2023 Report Graman: Graph Network Based Simulator for Forecasting Molecular Polarizability ( Read More )
OCTOBER 10, 2023 Conference Paper Geomechanical Characterization of the Mount Simon Sandstone and Eau Claire Formation of Northern Illinois Basin ( Read More )
OCTOBER 5, 2023 Report Characterization of Contaminants and Mobility in WMA A-AX Boreholes D0006 and D0008 ( Read More )
SEPTEMBER 22, 2023 Report Ab Initio Simulations of Tritium Diffusion in Al2O and Intermetallic Al12(TM)2.34 Aluminide Coating Phases ( Read More )
SEPTEMBER 14, 2023 Journal Article A Combined Wave Function and Density Functional Approach for K-Edge X-ray Absorption Near-Edge Spectroscopy: A Case Study of Hydrated First-Row Transition Metal Ions ( Read More )
SEPTEMBER 12, 2023 Report Technical Assessment of Potential Climate Impact and Economic Viability of Biochar Technologies for Small-Scale Agriculture in the Pacific Northwest ( Read More )
SEPTEMBER 8, 2023 Report Geophysical Characterization and Monitoring of the 200 Area Treated Effluent Disposal Facility to Support Permit Renewal; TEDF Geophysical Monitoring ( Read More )
AUGUST 24, 2023 Journal Article Newton trust-region methods with primary variable switching for simulating high temperature multiphase porous media flow ( Read More )
AUGUST 15, 2023 Journal Article The thermal plumbing system of Stromboli volcano, Aeolian Islands (Italy) inferred from electrical conductivity and induced polarization tomography ( Read More )
JULY 18, 2023 Report Real-Time Seismic System for Monitoring, Imaging, and Characterization (RT-SEISMIC) ( Read More )
JUNE 30, 2023 Journal Article Ab initio Simulations of Tritium Diffusion in Al-rich Iron Aluminide Coating Phases ( Read More )
JUNE 28, 2023 Journal Article New Insights from Legacy Seismic Data Regarding Basalt Elevations and Variability on the Hanford Site ( Read More )