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DECEMBER 30, 2025 Conference Paper Guiding Application Users via Estimation of Computational Resources for Massively Parallel Chemistry Computations ( Read More )
DECEMBER 30, 2025 Report Integration and Validation of Multi-Layer Mitigation Strategies for Cyber Physical Systems Resilience (RD2C Capstone I Project): Technical Report ( Read More )
DECEMBER 30, 2025 Report Energy-efficient, Large-scale Molecular Dynamics Simulations via Hardware- and Algorithm-level Optimization ( Read More )
DECEMBER 24, 2025 Journal Article Energy storage solutions to decarbonize electricity through enhanced capacity expansion modelling ( 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 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 10, 2025 Journal Article Polyvinyl alcohol coating induced preferred crystallographic orientation in aqueous zinc battery anodes ( Read More )
DECEMBER 6, 2025 Report ADEPT: A Pedagogical Framework for Integrating Agentic AI with Deterministic Scientific Workflows ( Read More )
DECEMBER 4, 2025 Journal Article Critical Role of Framework Flexibility and Disorder in Driving High Ionic Conductivity in LiNbOCl4 ( Read More )
NOVEMBER 25, 2025 Journal Article Conformally coated scaffold design using water-tolerant Pr1.8Ba0.2NiO4.1 for protonic ceramic electrochemical cells with 5,000-h electrolysis stability ( Read More )
NOVEMBER 21, 2025 Journal Article The Origin of Improved Performance in Boron-Alloyed Silicon Nanoparticle-Based Anodes for Lithium-Ion Batteries ( Read More )
NOVEMBER 19, 2025 Report Assessing the Current State of U.S. Energy Equity Regulation and Legislation ( Read More )
NOVEMBER 18, 2025 Journal Article Vitamin Mediated Glucose Flow Cell for Sustainable Power Generation ( Read More )
NOVEMBER 18, 2025 Report Building Performance Standards and Energy Code Alignment - Technical Brief ( Read More )