APRIL 23, 2026 Journal Article Energy-Conserving Contact Dynamics of Nonspherical Rigid-Body Particles ( Read More )
APRIL 22, 2026 Journal Article Birth of the Hydrated Electron via Charge-Transfer-to-Solvent Excitation of Aqueous Iodide ( Read More )
APRIL 22, 2026 Report Degradation and Failure Phenomena of Advanced Reactor Fuel Concepts: Sodium-Cooled Fast Reactor Metallic Fuel ( Read More )
APRIL 22, 2026 Journal Article STEPs-SOL a Peptoid Force Field Parameterization to Include Solvent Effects ( Read More )
APRIL 17, 2026 Journal Article The role of collective solvent coordinates and nonequilibrium solvation in charge-transfer reactions ( 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 )
APRIL 11, 2026 Journal Article Mesocrystal Growth by Oriented Sliding and Attachment of Nanoplates ( Read More )
MARCH 17, 2026 Report Summary of Developing a Hanford Grout Modeling Framework Initial Workshop ( Read More )
MARCH 4, 2026 Journal Article An innovative radial gradient material design using hot isostatic pressing for applications in extreme environments ( Read More )
MARCH 4, 2026 Journal Article Can Dithiolate Ligands Report Electronic Communication in Transuranium Complexes? ( Read More )
FEBRUARY 20, 2026 Report Advanced Functional Membranes for Noble Gas Management: Fabrication and Testing of Membranes on Porous Support ( Read More )
FEBRUARY 5, 2026 Journal Article Quantum electrodynamics coupled-cluster at scale: High-performance implementation for complex systems ( Read More )
FEBRUARY 2, 2026 Journal Article Modeling Strong Light-Matter Coupling in Correlated Systems: State-Averaged Cavity Quantum Electrodynamics Complete Active Space Self-Consistent Field Theory ( Read More )
FEBRUARY 2, 2026 Journal Article Modeling the Behavior of Concentrated Aqueous HNO3 Using Machine Learning Interatomic Potentials ( Read More )
JANUARY 20, 2026 Journal Article Reorganization of Water at Aqueous Aluminum Chloride (AlCl3) Interfaces: Vibrational Sum Frequency Generation and Molecular Dynamics Simulations ( Read More )
DECEMBER 31, 2025 Report Final report: The effect of neutron irradiation on conventional and nanocrystalline nickel: NSUF Work Package UA-22PN080501 Milestone M3UA-22PN0805012 ( Read More )
DECEMBER 30, 2025 Journal Article Investigation of the Iodate Sorption Mechanism by CoAl LDH through Experiments and Ab Initio Molecular Dynamics Simulations ( Read More )
DECEMBER 30, 2025 Report A spline-based method to obtain spatially dependent viscosity in confined flows ( Read More )