MAY 9, 2025 Journal Article Capturing Coupled Structural and Electronic Motions During Excited-State Intramolecular Proton Transfer via Computational Multiedge Resonant Inelastic X-ray Scattering ( Read More )
MAY 6, 2025 Journal Article A coarse-grained model of clay colloidal aggregation and consolidation with explicit representation of the electrical double layer ( Read More )
MAY 6, 2025 Journal Article Effective Many-body Interactions in Reduced-Dimensionality Spaces Through Neural Network Models ( Read More )
APRIL 30, 2025 Journal Article Uncertainty Quantification for Neural Network Potential Foundation Models ( Read More )
APRIL 25, 2025 Journal Article Liquid-like Solid State Diffusion of Lithium ions in Super-Halide-Rich Argyrodite ( Read More )
APRIL 23, 2025 Journal Article Unleashed from Constrained Optimization: Quantum Computing for Quantum Chemistry Employing Generator Coordinate Inspired Method ( Read More )
APRIL 23, 2025 Journal Article Capturing many-body correlation effects with quantum and classical computing ( Read More )
APRIL 11, 2025 Journal Article Exploring the exact limits of the real-time equation-of-motion coupled cluster cumulant Green's functions ( Read More )
APRIL 8, 2025 Journal Article Pairing a global optimization algorithm with EXAFS to characterize lanthanide structures in solution ( Read More )
MARCH 28, 2025 Journal Article Energy Storage as a Transmission Asset: Definitions and Use Cases ( Read More )
MARCH 7, 2025 Journal Article Hybrid polymer network cathode-enabled soluble-polysulfide-free lithium–sulfur batteries ( Read More )
MARCH 6, 2025 Journal Article Electronic structure simulations in the cloud computing environment ( Read More )
MARCH 5, 2025 Journal Article A hybrid numerical and machine learning framework for evaluating the performance of a 780 cm2 aqueous organic redox flow battery ( Read More )
MARCH 4, 2025 Journal Article Strategically modified ligand incorporating mixed phosphonate and carboxylate groups to enhance performance in all-iron redox flow batteries ( Read More )
FEBRUARY 13, 2025 Journal Article Assessing cathode–electrolyte interphases in batteries ( Read More )
FEBRUARY 7, 2025 Journal Article Optimizing High Energy Density Sulfur Cathodes : A Multivariate Approach to Electrode Formulation and Processing ( Read More )
JANUARY 30, 2025 Journal Article A Systematic Study on the Effects of Solvating Solvents and Additives in Localized High-Concentration Electrolytes over Electrochemical Performance of Lithium-Ion Batteries ( Read More )
JANUARY 30, 2025 Journal Article Three-dimensional polymeric-scaffold-based current collector for lithium metal anode toward high energy density batteries ( Read More )
JANUARY 30, 2025 Journal Article Important role of ion flux regulated by separators in lithium metal batteries ( Read More )
JANUARY 30, 2025 Journal Article Rational Electrolyte Design for Elevated-Temperature and Thermally Stable Lithium-Ion Batteries with Nickel-Rich Cathodes ( Read More )