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 Conference Paper Bridging the Gap Between LLMs and LNS with Dynamic Data Format and Architecture Codesign ( Read More )
JANUARY 7, 2025 Journal Article Tunable Localized Charge Transfer Excitons in Nanoplatelet-2D chalcogenide van der Waals Heterostructures ( Read More )
JANUARY 7, 2025 Conference Paper Studying CPU and memory utilization of applications on Fujitsu A64FX and Nvidia Grace Superchip ( Read More )
DECEMBER 24, 2024 Journal Article Smaller is better: The case for lower-order iodoplumbate species dominating MAPbI3/dimethylformamide solutions ( Read More )
DECEMBER 24, 2024 Journal Article Crystallization and Assembly at Interfaces: Celebrating the Achievements of a Vibrant Research Community ( Read More )
DECEMBER 20, 2024 Journal Article A comprehensive study on three typical photoacid generators using photoelectron spectroscopy and ab initio calculations ( Read More )
DECEMBER 20, 2024 Conference Paper Benchmarking Variables for Checkpointing in HPC Applications ( Read More )
DECEMBER 19, 2024 Journal Article Probing the Electronic Structure of [B10H10]2- Dianion Encapsulated by an Octamethylcalix[4]pyrrole Molecule ( Read More )
DECEMBER 19, 2024 Journal Article Photodetachment photoelectron spectroscopy shows isomer-specific proton-coupled electron transfer reactions in phenolic nitrate complexes ( Read More )
DECEMBER 19, 2024 Conference Paper Exploring Architectural-Aware Affinity Policies in Modern HPC Runtimes ( Read More )
DECEMBER 12, 2024 Journal Article Molecular Understanding of Nitrogen Oxide Fixation of Water-Lean Carbon Capture Solvents by Atomistic Modeling ( Read More )
DECEMBER 11, 2024 Conference Paper Cookie-Jar: An Adaptive Re-configurable Framework for Wireless Network Infrastructures ( Read More )
DECEMBER 6, 2024 Journal Article Physiological adaptations to progressive endurance exercise training in adult and aged rats: insights from the Molecular Transducers of Physical Activity Consortium (MoTrPAC) ( Read More )
DECEMBER 3, 2024 Conference Paper MassiveGNN: Efficient Training via Prefetching for Massively Connected Distributed Graphs ( Read More )
DECEMBER 3, 2024 Conference Paper Understanding Mixed Precision GEMM with MPGemmFI: Insights into Fault Resilience ( Read More )
NOVEMBER 28, 2024 Journal Article CACTUS: Chemistry Agent Connecting Tool Usage to Science ( Read More )