DECEMBER 30, 2025 Journal Article Physiochemical and Molecular Insights into the Boundary Layer and Free Troposphere Aerosol Interactions Over the Southern Great Plains ( Read More )
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 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 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 29, 2025 Journal Article Dry and warm conditions in Australia exacerbated by aerosol reduction in China ( Read More )
OCTOBER 22, 2025 Journal Article Climate effects of future aerosol reductions for achieving carbon neutrality in China ( Read More )
OCTOBER 22, 2025 Journal Article Climate impacts of convective cloud microphysics in NCAR CAM5 ( Read More )
OCTOBER 22, 2025 Journal Article Representing Anthropogenic Dust From Agricultural Sources in E3SMv1: Implementation, Evaluation, and Assessment of the Radiative Forcing ( Read More )
OCTOBER 21, 2025 Journal Article Evaluation of Marine Boundary Layer Clouds over the Northeast Pacific during the CSET Campaign in E3SM version 2 ( Read More )
OCTOBER 11, 2025 Report Vibrational Signatures of S Vacancies in monolayer tungsten disulfide ( Read More )
OCTOBER 8, 2025 Journal Article Cluster-dynamics-based parameterization for sulfuric acid–dimethylamine nucleation: comparison and selection through box and three-dimensional modeling ( Read More )
OCTOBER 8, 2025 Journal Article A dynamic parameterization of sulfuric acid–dimethylamine nucleation and its application in three-dimensional modeling ( Read More )
OCTOBER 8, 2025 Journal Article The Response of Summertime Organic Aerosol Composition to Emission Controls in the Northeastern United States ( Read More )
OCTOBER 8, 2025 Journal Article Going Off Grid: A Comparative Study of the Lagrangian and Eulerian Perspectives of New Particle Formation Events ( Read More )