OCTOBER 17, 2024 Conference Paper AGS-GNN: Attribute-guided Sampling for Graph Neural Networks ( Read More )
OCTOBER 8, 2024 Journal Article Mean-Field Ring Polymer Rates Using a Population Dividing Surface ( Read More )
OCTOBER 8, 2024 Journal Article Photoelectron Spectroscopy and Computational Study on Microsolvated [B10H10]2– Clusters and Comparisons to their [B12H12]2– Analogues ( Read More )
SEPTEMBER 27, 2024 Journal Article Isotope effects in supercooled H2O and D2O and a corresponding-states-like rescaling of the temperature and pressure ( Read More )
SEPTEMBER 19, 2024 Journal Article Exploiting a derivative discontinuity estimate for accurate G0W0 ionization potentials and electron affinities ( Read More )
SEPTEMBER 19, 2024 Journal Article Classical vs Quantum Plasmon-Induced Molecular Transformations at Metallic Nanojunctions ( Read More )
SEPTEMBER 19, 2024 Journal Article Hydrogen Spillover is Regulating Minority Rh1 Active Sites on TiO2 in Room-Temperature Ethylene Hydrogenation ( Read More )
SEPTEMBER 19, 2024 Conference Paper Fast Parallel Tensor Times Same Vector for Hypergraphs ( Read More )
SEPTEMBER 19, 2024 Conference Paper Deriving the Infrared Complex Refractive Indices of Organic Powders for Optical Modeling: Comparison of Methods ( Read More )
SEPTEMBER 19, 2024 Journal Article Healable and Conductive Sulfur Iodide for Solid-State Li-S Batteries ( Read More )
SEPTEMBER 19, 2024 Journal Article Driving forces for particle-based crystallization: from experiments to theory and simulations ( Read More )
SEPTEMBER 19, 2024 Journal Article Core/shell-like Localized Emission at Atomically Thin Semiconductor-Au Interface ( Read More )
SEPTEMBER 19, 2024 Journal Article PUFFIn – A user friendly fast interface for calculating and visualizing the dose distribution in materials ( Read More )
SEPTEMBER 19, 2024 Journal Article Role of dynamic polarization interactions in the electrical double layer at calcite (104) interfaces with aqueous solutions ( Read More )
AUGUST 13, 2024 Journal Article pH dependent reactivity of boehmite surfaces from first principles molecular dynamics ( Read More )
AUGUST 7, 2024 Conference Paper Red-QAOA: Efficient Variational Optimization through Circuit Reduction ( Read More )
AUGUST 6, 2024 Journal Article Visualizing nanoscale heterogeneity in perylene thin films via tip-enhanced photoluminescence with unsupervised machine learning ( Read More )
AUGUST 6, 2024 Conference Paper Evaluating Emerging AI/ML Accelerators: IPU, RDU, and and NVIDIA/AMD GPUs ( Read More )