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 6, 2025 Report ADEPT: A Pedagogical Framework for Integrating Agentic AI with Deterministic Scientific Workflows ( Read More )
NOVEMBER 12, 2025 Journal Article Unravelling the dynamics of the maturation protein in MS2 bacteriophage via molecular simulations ( Read More )
OCTOBER 11, 2025 Report Vibrational Signatures of S Vacancies in monolayer tungsten disulfide ( 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 )
SEPTEMBER 19, 2025 Report MoCoDo: Multi-Objective Co-design Optimization for Pareto-Set Identification ( Read More )
SEPTEMBER 5, 2025 Journal Article Modeling Pb(II) Adsorption on Mineral Surfaces: Bridging Density Functional Theory and Experiment with Thermodynamic Insights ( Read More )
SEPTEMBER 3, 2025 Journal Article The XPS of Pyridine: A Combined Theoretical and Experimental Analysis ( Read More )
AUGUST 22, 2025 Conference Paper Coordinated Frequency Regulation in Grid-Forming Storage Network via Safety-Consensus ( Read More )
AUGUST 14, 2025 Journal Article Trigonal Planar Bis(carbene)Cu(I) Complexes Enable Divergent H2 Activation with H2O for Accelerated Olefin Hydrogenation ( Read More )
AUGUST 13, 2025 Journal Article COLUMBUS - An Efficient and General Program Package for Ground and Excited State Computations Including Spin-Orbit Couplings and Dynamics ( Read More )
AUGUST 8, 2025 Journal Article A Hybrid Dynamic/Steady-State Tool with Protection Simulation for Cascading-Outage Analysis of Extreme Events in Power Systems ( Read More )
AUGUST 8, 2025 Conference Paper Microgrid Building Blocks for Dynamic Decoupling and Black Start Applications ( Read More )
AUGUST 1, 2025 Conference Paper Swing Contract-Based Valuation for Distributed Energy Resources in Transactive Energy Systems: A Reinforcement Learning Approach ( Read More )
JULY 31, 2025 Journal Article Topology-aware Reinforcement Learning for Voltage Control: Centralized and Decentralized Strategies ( Read More )
JULY 25, 2025 Journal Article Losing Control of your Linear Network? Try Resilience Theory ( Read More )