MAY 9, 2025 Journal Article Capturing Coupled Structural and Electronic Motions During Excited-State Intramolecular Proton Transfer via Computational Multiedge Resonant Inelastic X-ray Scattering ( Read More )
MAY 6, 2025 Journal Article A coarse-grained model of clay colloidal aggregation and consolidation with explicit representation of the electrical double layer ( Read More )
MAY 6, 2025 Journal Article Adding labile carbon to peatland soils triggers deep carbon breakdown ( Read More )
MAY 6, 2025 Journal Article Effective Many-body Interactions in Reduced-Dimensionality Spaces Through Neural Network Models ( Read More )
APRIL 30, 2025 Journal Article Scaling High-resolution Soil Organic Matter Composition to Improve Predictions of Potential Soil Respiration Across the Continental United States ( Read More )
APRIL 30, 2025 Journal Article Uncertainty Quantification for Neural Network Potential Foundation Models ( Read More )
APRIL 24, 2025 Journal Article Synergetic Effects of Soil Organic Matter Components during Interactions with Minerals ( Read More )
APRIL 23, 2025 Journal Article Unleashed from Constrained Optimization: Quantum Computing for Quantum Chemistry Employing Generator Coordinate Inspired Method ( Read More )
APRIL 23, 2025 Journal Article Capturing many-body correlation effects with quantum and classical computing ( Read More )
APRIL 23, 2025 Journal Article Seasonal controls on microbial depolymerization and oxidation of organic matter in floodplain soils ( Read More )
APRIL 15, 2025 Journal Article The role of Ca-bridged organic matter in an alkaline soil, as revealed by multimodal chemical imaging ( Read More )
APRIL 11, 2025 Journal Article Exploring the exact limits of the real-time equation-of-motion coupled cluster cumulant Green's functions ( Read More )
APRIL 8, 2025 Journal Article Pairing a global optimization algorithm with EXAFS to characterize lanthanide structures in solution ( Read More )
MARCH 18, 2025 Journal Article Emerging multiscale insights on microbial carbon use efficiency in the land carbon cycle ( Read More )
MARCH 6, 2025 Journal Article Electronic structure simulations in the cloud computing environment ( Read More )
FEBRUARY 26, 2025 Journal Article Bioavailability of molybdenite to support nitrogen fixation on early Earth by an anoxygenic phototroph ( Read More )
FEBRUARY 13, 2025 Journal Article Moisture-mineral interactions drive bacterial and organic matter turnover in glacier-sourced riparian sediments undergoing pedogenesis ( Read More )
JANUARY 15, 2025 Journal Article The accuracies of effective interactions in downfolding coupled-cluster approaches for small-dimensionality active spaces ( Read More )
JANUARY 15, 2025 Journal Article WFOT: a Wave Function Overlap Tool Between Single- and Multi-Reference Electronic Structure Methods for spectroscopy Simulation ( Read More )
JANUARY 8, 2025 Journal Article Machine Learning Prediction of Nitric Acid Extraction Behavior in PUREX Process ( Read More )