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 8, 2025 Conference Paper CHEMREASONER: Heuristic Search over a Large Language Model’s Knowledge Space using Quantum-Chemical Feedback ( Read More )
JANUARY 8, 2025 Journal Article Machine Learning Prediction of Nitric Acid Extraction Behavior in PUREX Process ( Read More )
JANUARY 7, 2025 Conference Paper Studying CPU and memory utilization of applications on Fujitsu A64FX and Nvidia Grace Superchip ( Read More )
DECEMBER 27, 2024 Journal Article NCAP: Noncanonical Amino Acid Parameterization Software for CHARMM Potentials ( Read More )
DECEMBER 20, 2024 Conference Paper Benchmarking Variables for Checkpointing in HPC Applications ( Read More )
DECEMBER 19, 2024 Conference Paper Exploring Architectural-Aware Affinity Policies in Modern HPC Runtimes ( 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 Understanding Mixed Precision GEMM with MPGemmFI: Insights into Fault Resilience ( Read More )
DECEMBER 3, 2024 Conference Paper MassiveGNN: Efficient Training via Prefetching for Massively Connected Distributed Graphs ( Read More )
NOVEMBER 28, 2024 Journal Article CACTUS: Chemistry Agent Connecting Tool Usage to Science ( Read More )
NOVEMBER 18, 2024 Report Unifying Combinatorial and Graphical Methods in Artificial Intelligence ( Read More )
NOVEMBER 18, 2024 Journal Article How much can we gain from Tensor Kernel Fusion on GPUs? ( Read More )
NOVEMBER 18, 2024 Journal Article Challenges and Opportunities in Deep Reinforcement Learning with Graph Neural Networks: A Comprehensive review of Algorithms and Applications ( Read More )
NOVEMBER 18, 2024 Journal Article Advanced Computing Is at the Forefront of a New “Moonshot” Revolutionizing the North American Power Grid ( Read More )