SEPTEMBER 30, 2026 Journal Article H2X100: A Gold-Standard CCSD(T)/CBS Benchmark Dataset of Binding Energies, Structures, and Harmonic Frequencies for (H2X)n, X = S, Se, Te, n = 2 – 4, and Assessment of Lower-Scaling Density Functional Theory Methods ( Read More )
SEPTEMBER 22, 2026 Journal Article MixPI: Mixed-Time Slicing Path Integral Software for Quantized Molecular Dynamics Simulations ( Read More )
SEPTEMBER 22, 2026 Journal Article Hydropower potential derived from streamflow extremes for Alaska, USA ( Read More )
SEPTEMBER 22, 2026 Journal Article Deconstructing Chirality: Probing Local and Nonlocal Effects in Azobenzene Derivatives with X-ray Circular Dichroism ( Read More )
SEPTEMBER 22, 2026 Journal Article Molecular modelling of surfactant interaction on phospholipid bilayers mimicking corneal epithelium ( Read More )
SEPTEMBER 22, 2026 Journal Article Fingerprinting Uranium Oxides with Electron Energy Loss Spectroscopy Supported by Theoretical Computations ( Read More )
SEPTEMBER 22, 2026 Journal Article Fermionic mean-field dynamics for spin systems beyond free fermions ( Read More )
SEPTEMBER 22, 2026 Journal Article A Cautionary Tale: Failure of the Valence CASSCF to Describe the Hallmark of Hydrogen Bonding ( Read More )
SEPTEMBER 22, 2026 Report Thermodynamics of Tritium Trapping by Point Defects at Interfacial Cr-based Phases of the Al Coating ( Read More )
SEPTEMBER 22, 2026 Report Attributing Economic Value and Reliability Benefits from Large Cascading Hydro Systems Coordinated Under Normal and Extreme Weather Events, and the Incremental Values of Pumped Storage (CRADA 717) Abstract ( Read More )
JUNE 4, 2026 Journal Article Direction-specific enhanced diffusion of CO2 in chiral hexagonal boron nitride nanotubes ( Read More )
MAY 30, 2026 Report VIC-Global Parameter Dataset Sensitivity with the Variable Infiltration Capacity Model: Evaluating the importance of dynamic land surface parameters when using the VIC-Global parameter dataset ( Read More )
MAY 13, 2026 Report Improving the Representation of Hydropower in Production Cost Models ( Read More )
MAY 9, 2026 Journal Article Ab Initio Structures and Energetics of Hydrated Flat and Terrace-Step Surfaces of Forsterite (Mg2SiO4) ( Read More )
MAY 8, 2026 Report Flow Forecasting on New England’s Great River Hydro (CRADA 549) Final Report ( Read More )
MAY 6, 2026 Journal Article A comprehensive calibration framework for the Northwest River Forecast Center ( Read More )
APRIL 23, 2026 Journal Article Energy-Conserving Contact Dynamics of Nonspherical Rigid-Body Particles ( Read More )
APRIL 22, 2026 Journal Article STEPs-SOL a Peptoid Force Field Parameterization to Include Solvent Effects ( Read More )
APRIL 16, 2026 Journal Article Mechanistic Insights into Molecular Copper Hydride Catalysis: the Kinetic Stability of CuH Monomers toward Aggregation is a Critical Parameter for Catalyst Performance ( Read More )
APRIL 15, 2026 Journal Article Thiol post-translational modifications modulate allosteric regulation of the OpcA-G6PDH complex through conformational gate control ( Read More )