APRIL 23, 2025 Journal Article Capturing many-body correlation effects with quantum and classical computing ( Read More )
APRIL 23, 2025 Journal Article Unleashed from Constrained Optimization: Quantum Computing for Quantum Chemistry Employing Generator Coordinate Inspired Method ( Read More )
APRIL 11, 2025 Journal Article Exploring the exact limits of the real-time equation-of-motion coupled cluster cumulant Green's functions ( Read More )
APRIL 8, 2025 Journal Article Pairing a global optimization algorithm with EXAFS to characterize lanthanide structures in solution ( Read More )
MARCH 6, 2025 Journal Article Electronic structure simulations in the cloud computing environment ( Read More )
FEBRUARY 12, 2025 Journal Article Structure-property relations of sodium iron phosphate nuclear waste glasses: Effects of iron redox ratio and glass composition ( Read More )
FEBRUARY 7, 2025 Conference Paper Critical Shear Stresses for Erosion from Yield Stresses ( Read More )
JANUARY 29, 2025 Conference Paper Recovery of Oxpure 612C-50 Coconut Carbon Particles Using Bump Arrays ( Read More )
JANUARY 28, 2025 Book Chapter Soil Desiccation Treatability Testing at BC Waste Disposal Cribs ( Read More )
JANUARY 28, 2025 Book Chapter Plutonium Finishing Plant Demolition and Interim Subsurface Disposal Structure Stabilization ( Read More )
JANUARY 28, 2025 Journal Article Spectral Induced Polarization (SIP) Measurements across a PFAS-Contaminated Source Zone ( Read More )
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 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 )
DECEMBER 27, 2024 Journal Article NCAP: Noncanonical Amino Acid Parameterization Software for CHARMM Potentials ( Read More )