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 5, 2025 Journal Article Modeling Pb(II) Adsorption on Mineral Surfaces: Bridging Density Functional Theory and Experiment with Thermodynamic Insights ( Read More )
SEPTEMBER 4, 2025 Journal Article Direct Prelithiation of Silicon-Based Composite Electrodes via Island-like Thermal Evaporation ( Read More )
SEPTEMBER 3, 2025 Journal Article The XPS of Pyridine: A Combined Theoretical and Experimental Analysis ( Read More )
AUGUST 27, 2025 Journal Article Computationally Efficient Models for Aqueous Organic Redox Flow Batteries ( Read More )
AUGUST 26, 2025 Journal Article Designing Moderately-Solvating Electrolytes for High-Performance Lithium-Sulfur Batteries ( Read More )
AUGUST 21, 2025 Journal Article Electrochemically modulated single-molecule localization microscopy for in vitro imaging cytoskeletal protein structures ( Read More )
AUGUST 20, 2025 Conference Paper Deconfliction of Centralized and Distributed ADMS and DERMS Applications ( Read More )
AUGUST 20, 2025 Conference Paper Reliability Testing of Commercial Li-ion Battery Cells for Electrochemical Energy Storages (EES) ( 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 An integrated high-throughput robotic platform and active learning approach for accelerated discovery of optimal electrolyte formulations ( 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 )
JULY 24, 2025 Journal Article First principles study of molecular hydrogen activation by defects in boron nitride ( Read More )
JULY 24, 2025 Journal Article Designing Advanced Electrolytes for High-Voltage High-Capacity Disordered Rocksalt Cathodes ( Read More )
JULY 11, 2025 Journal Article Reducing resistances of all-solid-state polymer batteries via hot-press activation ( Read More )
JUNE 27, 2025 Journal Article Antiviral discovery using sparse datasets by integrating experiments, molecular simulations, and machine learning ( Read More )
JUNE 21, 2025 Journal Article Sulfone-based electrolytes for high energy density lithium-ion batteries ( Read More )
JUNE 21, 2025 Journal Article Is nonflammability of electrolyte overrated in the overall safety performance of lithium ion batteries? A sobering revelation from a completely nonflammable electrolyte ( Read More )