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The Binding of Atomic Hydrogen on Graphene from Density Functional Theory and Diffusion Monte Carlo Calculations

Publications The Journal of Chemical Physics

Surrogate Hessian Accelerated Structural Optimization for Stochastic Electronic Structure Theories

Publications The Journal of Chemical Physics

Aurora COE Workshop #4

Events

Aurora Workshop Logo

Binary Flasks, Computers in Chemistry

Events

Shutterstock Chemistry Graphic

Multi-fidelity Estimation in Online Learning and Control

Events

Quantum machine learning

CyberGIS and Geospatial Artificial Intelligence

Events

Shutterstock Geospatial Graphic

PDFDataExtractor: A Tool for Reading Scientific Text and Interpreting Metadata from the Typeset Literature in the Portable Document Format

Publications Journal of Chemical Information and Modeling

2022 ECP Annual Meeting

Events

ECP

Data-Centric Python - Productivity, Portability and all with High Performance

Events

Quantum machine learning

2023 INCITE Proposal Writing Webinar

Events

2023 INCITE Proposal Webinar Graphic

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