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DECEMBER 30, 2025 Report Energy-efficient, Large-scale Molecular Dynamics Simulations via Hardware- and Algorithm-level Optimization ( Read More )
DECEMBER 30, 2025 Conference Paper Guiding Application Users via Estimation of Computational Resources for Massively Parallel Chemistry Computations ( Read More )
DECEMBER 23, 2025 Journal Article Assessing the limitations of commercial sensors and models for supporting marine carbon dioxide removal monitoring: a case study ( Read More )
DECEMBER 20, 2025 Journal Article A Perspective on Quantum Computing Applications in Quantum Chemistry using 25--100 Logical Qubits ( Read More )
DECEMBER 20, 2025 Journal Article Confinement-controlled selective CO2 insertion into a dicopper dihydride core: A multiscale mechanistic study ( Read More )
DECEMBER 19, 2025 Journal Article An electrochemical hydrogen-looping system for low-cost CO2 capture from seawater ( Read More )
DECEMBER 17, 2025 Journal Article A meta-generalized gradient approximation for the cavity-dependent exchange-correlation interaction in strongly coupled light-matter systems ( Read More )
DECEMBER 13, 2025 Report Tritium Trapping Thermodynamics by Point Defects at Interfacial Fe-Al Phases of the Aluminide Coating ( Read More )
DECEMBER 13, 2025 Journal Article Nickel Hydroxide–Nickel Carbonate Competitive Growth on Carbonate Surfaces ( Read More )
DECEMBER 6, 2025 Journal Article The Science, Engineering, and Validation of Marine Carbon Dioxide Removal and Storage ( Read More )
DECEMBER 6, 2025 Report ADEPT: A Pedagogical Framework for Integrating Agentic AI with Deterministic Scientific Workflows ( Read More )
NOVEMBER 12, 2025 Journal Article Development of the United States GReenhouse gas And Air Pollutants 2 Emissions System (GRA2PES) ( Read More )
NOVEMBER 12, 2025 Journal Article Unravelling the dynamics of the maturation protein in MS2 bacteriophage via molecular simulations ( Read More )
OCTOBER 22, 2025 Journal Article To achieve deep cuts in U.S. emissions, state-driven policy is only slightly more expensive than nationally-uniform policy ( Read More )
OCTOBER 11, 2025 Report Vibrational Signatures of S Vacancies in monolayer tungsten disulfide ( Read More )
OCTOBER 2, 2025 Report Fluor Solvent Evaluation and Testing New Scope: Techno-economic Assessment of EEMPA Solvent for CO2 Separations from Natural Gas Combined Cycle Power Plant ( Read More )
OCTOBER 2, 2025 Journal Article Extending Badger’s Rule. I. The Relationship between Energy and Structure in Hydrogen Bonds ( Read More )
OCTOBER 2, 2025 Journal Article Projector-Based Quantum Embedding Study of Iron Complexes ( Read More )