MAY 19, 2026 Report A new capability for investigating the structure and dynamics of liquids at high pressures ( Read More )
APRIL 25, 2026 Journal Article Pathways of bio-jet adoption in the US aviation industry with implications for the overall transportation and energy sectors: an integrated, multi-sectoral analysis of future scenarios ( Read More )
APRIL 25, 2026 Journal Article Extension of Complex Refractive Index Measurements to the Near-Infrared for Liquids with Uncertainty Analysis ( Read More )
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 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 )
APRIL 9, 2026 Journal Article Advancing Ethanol-to-Jet Cost Effectiveness via Direct Conversion to n-Butene-Rich Olefins and Co-Product Valorization ( Read More )
APRIL 8, 2026 Journal Article Energy-efficient Scientific Computing using Chemical Reservoirs ( Read More )
FEBRUARY 5, 2026 Journal Article Quantum electrodynamics coupled-cluster at scale: High-performance implementation for complex systems ( Read More )
FEBRUARY 2, 2026 Report CAMEO: A Co-design Architecture for Multi-objective Energy System Optimization - Project Report ( Read More )
FEBRUARY 2, 2026 Journal Article Modeling the Behavior of Concentrated Aqueous HNO3 Using Machine Learning Interatomic Potentials ( 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 )
JANUARY 21, 2026 Journal Article Rheology and Engine Performance of Very Low Sulfur Fuel Oil Blended with 10% Fast Pyrolysis and Hydrothermal Liquefaction Oils in a 2-Stroke Crosshead Engine ( 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 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 Energy-efficient, Large-scale Molecular Dynamics Simulations via Hardware- and Algorithm-level Optimization ( Read More )