APRIL 23, 2025 Journal Article Unleashed from Constrained Optimization: Quantum Computing for Quantum Chemistry Employing Generator Coordinate Inspired Method ( Read More )
APRIL 23, 2025 Journal Article Capturing many-body correlation effects with quantum and classical computing ( Read More )
APRIL 18, 2025 Journal Article Distributed energy resources as an equity asset: Lessons learned from deployments in disadvantaged communities ( 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 )
APRIL 4, 2025 Report Solid State Additive Manufacturing of Oxide Dispersion Strengthened-FeCrAl Alloy Components for High-Temperature Supercritical CO2 Power Cycle Applications ( Read More )
MARCH 26, 2025 Conference Paper Clustering Interval Load with Weather to Create Scenarios of Behind-the-Meter Solar Penetration ( Read More )
MARCH 26, 2025 Conference Paper Enhancing Solar Power Forecasting with Regularized Constrained Quantile Regression Averaging and Bootstrapping Techniques ( Read More )
MARCH 6, 2025 Journal Article Electronic structure simulations in the cloud computing environment ( Read More )
JANUARY 25, 2025 Report Photovoltaic and Cost Analysis for Winston-Salem, North Carolina ( 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 Journal Article Machine Learning Prediction of Nitric Acid Extraction Behavior in PUREX Process ( Read More )
JANUARY 8, 2025 Conference Paper CHEMREASONER: Heuristic Search over a Large Language Model’s Knowledge Space using Quantum-Chemical Feedback ( Read More )
DECEMBER 27, 2024 Journal Article NCAP: Noncanonical Amino Acid Parameterization Software for CHARMM Potentials ( 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 Affinity of Nicotinoids to a Model Nicotinic Acetylcholine Receptor (nAChR) Binding Pocket in the Human Brain ( Read More )
NOVEMBER 18, 2024 Report Developing Capabilities in Physical and Computational Sciences ( Read More )
NOVEMBER 18, 2024 Journal Article Multi-Agent Voltage Control in Distribution Systems using GAN-DRL-based Approach ( Read More )
NOVEMBER 18, 2024 Journal Article A Multi-Decadal Hourly Coincident Wind and Solar Power Production Dataset for the Contiguous United States ( Read More )