JANUARY 15, 2025 Journal Article The accuracies of effective interactions in downfolding coupled-cluster approaches for small-dimensionality active spaces ( Read More )
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 9, 2025 Journal Article ARMTRAJ: A Set of Multipurpose Trajectory Datasets Augmenting the Atmospheric Radiation Measurement (ARM) User Facility Measurements ( Read More )
JANUARY 8, 2025 Journal Article Accurate and Data-Efficient Micro X-ray Diffraction Phase Identification Using Multitask Learning: Application to Hydrothermal Fluids ( 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 Journal Article Taking stock of nationally determined contributions: Continued ratcheting of ambition is critical to limit global warming to 1.5°C ( Read More )
JANUARY 7, 2025 Journal Article Tunable Localized Charge Transfer Excitons in Nanoplatelet-2D chalcogenide van der Waals Heterostructures ( Read More )
JANUARY 3, 2025 Journal Article The role of the iron and steel sector in achieving net zero U.S. CO2 emissions by 2050 ( Read More )
JANUARY 3, 2025 Journal Article Comparing gas composition from fast pyrolysis of live foliage measured in bench-scale and fire-scale experiments ( Read More )
JANUARY 3, 2025 Journal Article Understanding the Role of Negative Charge in the Scaffold of an Artificial Enzyme for CO2 Hydrogenation on Catalysis ( Read More )
DECEMBER 28, 2024 Journal Article The Natural Products Magnetic Resonance Database (NP-MRD) for 2025 ( Read More )
DECEMBER 27, 2024 Journal Article NCAP: Noncanonical Amino Acid Parameterization Software for CHARMM Potentials ( Read More )
DECEMBER 27, 2024 Journal Article In-situ dehydrogenation of lignin-based jet fuel: A novel and sustainable liquid organic hydrogen carrier ( 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 Report Quality Assurance Project Plan for the Salish Sea Model – Continuing Development of New Capabilities and Applications: European Green Crab (EGC) Larval Transport, Coupling to VELMA and Atlantis, Performance Improvements and Diagnostic Applications ( Read More )
DECEMBER 24, 2024 Journal Article Impacts of topography-based subgrid scheme and downscaling of atmospheric forcing on modeling land surface processes in the conterminous US ( Read More )
DECEMBER 24, 2024 Journal Article Crystallization and Assembly at Interfaces: Celebrating the Achievements of a Vibrant Research Community ( Read More )
DECEMBER 24, 2024 Journal Article Chemical Recycling of Post-Consumer Polyester Wastes Using a Tertiary Amine Organocatalyst ( Read More )
DECEMBER 24, 2024 Journal Article Quantification of lanthanides on a PMMA microfluidic device with three optical pathlengths using PCR of UV-visible, NIR, and Raman spectroscopy ( Read More )