FEBRUARY 15, 2024 Journal Article Cation Coordination Polyhedra Lead to Multiple Lengthscale Organization in Aqueous Electrolytes ( 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 )
FEBRUARY 15, 2024 Journal Article Editorial: Advances in Observations and Modeling of Snow, Forest-Snow Processes and Snow Hydrology ( 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 )
FEBRUARY 15, 2024 Book Chapter Harness the power of atomistic modeling and deep learning in biofuel separation ( Read More )
FEBRUARY 15, 2024 Journal Article Binding of Radionuclides and Surrogate to 18-Crown-6 Ether by Density Functional Theory ( Read More )
FEBRUARY 15, 2024 Journal Article ECCE sensitivity studies for single hadron transverse single spin asymmetry measurements ( Read More )
OCTOBER 26, 2023 Journal Article Transition Zone Morphology Dynamics of Dissolved Oxygen (DO) in a Salinity-impacted Hyporheic Zone ( 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 18, 2023 Journal Article 1-D coupled surface flow and transport equations revisited via the physics-informed neural network approach ( Read More )
OCTOBER 10, 2023 Report Graman: Graph Network Based Simulator for Forecasting Molecular Polarizability ( 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 16, 2023 Journal Article Estuarine nutrient pollution impact reduction assessment through euphotic zone avoidance/bypass considerations ( 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 )
AUGUST 24, 2023 Journal Article Newton trust-region methods with primary variable switching for simulating high temperature multiphase porous media flow ( Read More )
JULY 8, 2023 Journal Article Vegetation clumping modulates global photosynthesis through adjusting canopy light environment ( Read More )