JANUARY 8, 2026 Report Ranking Biological Features in Soil-Based Microbial Multi-Omics Data with Integration Modeling ( Read More )
JANUARY 8, 2026 Report Finch: Toxicity Dose Response Curve Prediction of Chemical Compounds and Mixtures ( Read More )
JANUARY 7, 2026 Journal Article Paired neural network for matching experimental and predicted infrared spectra ( Read More )
JANUARY 6, 2026 Report Thermodynamics of Tritium Trapping by Point Defects in Intermetallic Al12(TM)2.35 Aluminide Coating Phase ( Read More )
JANUARY 1, 2026 Journal Article Energy barriers for H2 uptake and release by defects in boron nitride ( Read More )
DECEMBER 30, 2025 Conference Paper Guiding Application Users via Estimation of Computational Resources for Massively Parallel Chemistry Computations ( Read More )
DECEMBER 30, 2025 Report Energy-efficient, Large-scale Molecular Dynamics Simulations via Hardware- and Algorithm-level Optimization ( Read More )
DECEMBER 20, 2025 Journal Article Confinement-controlled selective CO2 insertion into a dicopper dihydride core: A multiscale mechanistic 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 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 Nitrogen Limitation Causes a Seismic Shift in Redox States and Phosphorylation of Proteins Implicated in Carbon Flux and Lipidome Remodeling for Rhodotorula toruloides ( Read More )
DECEMBER 6, 2025 Journal Article The Incongruity of Validating Quantitative Proteomics using Western Blots ( Read More )
DECEMBER 6, 2025 Report ADEPT: A Pedagogical Framework for Integrating Agentic AI with Deterministic Scientific Workflows ( Read More )
NOVEMBER 27, 2025 Journal Article Tracing priming effects in palsa peat carbon dynamics using a stable isotope-assisted metabolomics approach ( Read More )
NOVEMBER 15, 2025 Journal Article Soil porous microstructure control over soil organic matter mobility: a multimethod workflow for understanding chemistry-dependent organic matter binding in soil ( 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 Challenges in Integrating Dissolved Organic Matter Chemodiversity into Kinetic Models of Soil Respiration ( Read More )