MARCH 15, 2024 Journal Article Acceleration of Graph Neural Network-based Prediction Models in Chemistry via Co-design Optimization on Intelligence Processing Units ( Read More )
MARCH 14, 2024 Conference Paper Scaling Optimal Allocation of Cloud Resources Using Lagrange Relaxation ( Read More )
MARCH 14, 2024 Journal Article Method to derive the infrared complex refractive indices n(?) and k(?) for organic solids from KBr pellet absorption measurements ( Read More )
MARCH 13, 2024 Journal Article Engineered Ru on HY Zeolite Catalyst for Continuous and Selective Hydrodeoxygenation of Lignin Phenolics to Cycloalkanes Under Moderate Conditions ( Read More )
MARCH 12, 2024 Journal Article Structural characterization of a new samarium–sodium heterometallic coordination polymer ( Read More )
MARCH 2, 2024 Journal Article Controlling the Phase Transformation of Alumina for Enhanced Stability and Catalytic Properties ( Read More )
FEBRUARY 23, 2024 Journal Article Intramolecular 1,2 C-H Addition of o-Methyl Groups to Form Unique Ruthenium Pincer Tuck-in Complexes ( Read More )
FEBRUARY 23, 2024 Conference Paper Power System Recovery Coordinated with (Non-)Black-Start Generators ( Read More )
FEBRUARY 22, 2024 Journal Article Erratum Breaking covalent bonds in the context of the many-body expansion (MBE). I. The purported “first row anomaly” in XHn (X = C, Si, Ge, Sn; n = 1–4) [J. Chem. Phys. 156, 244303 (2022)] ( Read More )
FEBRUARY 22, 2024 Journal Article Physics-constrained graph modeling for building thermal dynamics ( Read More )
FEBRUARY 22, 2024 Journal Article Tailoring p-type Behavior in ZnO Quantum Dots through Enhanced Sol-Gel Synthesis: Mechanistic Insights into Zinc Vacancies ( Read More )
FEBRUARY 20, 2024 Journal Article Accurate calculation of many-body energies in water clusters using a classical geometry-dependent induction model ( Read More )
FEBRUARY 17, 2024 Journal Article X-ray and Optical circular dichroism as local and global ultrafast chiral probes of [12]helicene racemization ( Read More )
FEBRUARY 16, 2024 Journal Article Quantum bath augmented stochastic nonequilibrium atomistic simulations for molecular heat conduction ( Read More )
FEBRUARY 16, 2024 Journal Article Subnanometer Visualization of Spatially Varying Local Field Resonances that Drive Tip-Enhanced Optical Spectroscopy ( Read More )
FEBRUARY 16, 2024 Journal Article Mechanistic Insights to Drive Catalytic Hydrogenation of Formamide Intermediates to Methanol via Deaminative Hydrogenation ( Read More )
FEBRUARY 16, 2024 Conference Paper Extending Conformal Prediction to Hidden Markov Models with Exact Validity via de Finetti’s Theorem for Markov Chains ( Read More )
FEBRUARY 16, 2024 Journal Article The Microwave Spectra of the Conformers of n-Butyl Nitrate ( Read More )
FEBRUARY 15, 2024 Journal Article Multilevel Computational Studies Reveal the Importance of Axial Ligand for Oxygen Reduction Reaction on Fe-N-C Materials ( Read More )