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Xiaohui Qu

Assistant Scientist

Brookhaven National Laboratory

United States

Research Interests

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Professors in United States

Articles (10)

Year:

2026

Year:

2026

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2025

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2025

Year:

2025

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2024

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2024

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2023

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2023

Year:

2023

Collaborators (4)

Mingzhao Liu

Staff Scientist

Brookhaven National Laboratory

UNITED STATES

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Dario Stacchiola

Group Leader

Brookhaven National Laboratory

UNITED STATES

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Akhil Tayal

Beamline Scientist

Brookhaven National Laboratory

UNITED STATES

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David M. Cwiertny

Professor

The University of Iowa

UNITED STATES

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Xiaohui Qu

Research Interests

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Articles (10)

Predictive autoencoder-transformer model of Cu oxidation state from EELS and XAS spectra

Structural analysis of lanthanide–DOTAM coordination complexes and use of machine learning to rationally design materials with molecular recognition for selective rare earth recovery

Resolving local structural motifs across the phase evolution of zinc titanates with computational x-ray absorption spectroscopy

Pulsed laser deposition of delafossite oxide thin films on YSZ (001) substrates as solar water splitting photocathodes

OmniXAS: A universal deep-learning framework for materials x-ray absorption spectra

In Situ Insights into Cathode Calcination for Predictive Synthesis: Kinetic Crystallization of LiNiO2 from Hydroxides

Multicode benchmark on simulated Ti K-edge x-ray absorption spectra of Ti-O compounds

Lightshow: a Python package for generating computational x-ray absorption spectroscopy input files

Decoding structure-spectrum relationships with physically organized latent spaces

Uncertainty-aware predictions of molecular x-ray absorption spectra using neural network ensembles

Collaborators (4)

Mingzhao Liu

Dario Stacchiola

Akhil Tayal

David M. Cwiertny

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