FEBRUARY 15, 2024 Journal Article Triple excitations in Green's function coupled cluster solver for studies of strongly correlated systems in the framework of self-energy embedding theory ( Read More )
FEBRUARY 15, 2024 Conference Paper ML-CGRA: An Integrated Compilation Framework to Enable Efficient Machine Learning Acceleration on CGRAs ( Read More )
FEBRUARY 15, 2024 Journal Article Elucidating the Water-Anatase TiO2(101) Interface Structure Using Infrared Signatures and Molecular Dynamics ( Read More )
FEBRUARY 15, 2024 Journal Article A GPU accelerated mixed-precision Smoothed Particle Hydrodynamics framework with cell-based relative coordinate ( Read More )
FEBRUARY 15, 2024 Journal Article Revealing Excited State Trajectories on Potential Energy Surfaces with Atomic Resolution in Real Time ( Read More )
FEBRUARY 15, 2024 Journal Article Refined views of ancient ocean chemistry: Tracking trace element incorporation in pyrite framboids using atom probe tomography ( Read More )
FEBRUARY 15, 2024 Journal Article Adaptive Ensemble Refinement of Protein Structures in High Resolution Electron Microscopy Density Maps with Radical Augmented Molecular Dynamics Flexible Fitting ( Read More )
FEBRUARY 15, 2024 Journal Article Hybridized Methods for Quantum Simulation in the Interactive Picture ( Read More )
FEBRUARY 15, 2024 Journal Article Speciation and reactivity control of Cu-Oxo clusters via extraframework Al in mordenite for methane oxidation ( Read More )
FEBRUARY 15, 2024 Journal Article Quantum Model Learning Agent: Characterization of Quantum Systems Through Machine Learning ( Read More )
FEBRUARY 15, 2024 Journal Article Evaluating Uncertainty-Based Active Learning for Accelerating the Generalization of Molecular Property Prediction ( Read More )
FEBRUARY 15, 2024 Journal Article Self-organization of 1-propanol at H-ZSM-5 Brønsted acid sites ( Read More )
FEBRUARY 15, 2024 Report Development of a Sulfur Tolerant CHG Process - CRADA 442 (Abstract) ( Read More )
FEBRUARY 15, 2024 Report Demonstrate the Catalytic Conversion Fermentation Derived Intermediate to Isoprene - CRADA 365 (Abstract) ( Read More )
FEBRUARY 15, 2024 Book Chapter Harness the power of atomistic modeling and deep learning in biofuel separation ( Read More )
NOVEMBER 10, 2023 Journal Article Metal-organic framework supported single-site nickel catalysts for butene dimerization ( Read More )
NOVEMBER 8, 2023 Journal Article A sensitivity analysis of twinning crystal plasticity finite element model using single crystal and poly crystal Zircaloy ( Read More )
NOVEMBER 4, 2023 Conference Paper FLASH: FPGA-Accelerated Smart Switches with GCN Case Study ( Read More )