Deyu Lu

Central South University of Forestry and Technology — China

Materials Science · Physical Sciences

30h-index3.5kcitations179works5.92yr avg
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Research Topics

Machine Learning in Materials Science(36), X-ray Diffraction in Crystallography(25), Computational Drug Discovery Methods(19), Advanced Chemical Physics Studies(18), Catalytic Processes in Materials Science(16)

Publications179 total

Thermally driven surface phase separation in intermetallic alloys
Nature Communications·2025Open Access
Two-dimensional helical superconductivity and gapless superconducting edge modes in the 1T$^\prime$-WS$_2$/2H-WS$_2$ heterophase bilayer
arXiv (Cornell University)·2025Open Access
Harnessing Machine Learning to Advance Amorphous Battery Materials
ECS Meeting Abstracts·2025
Strain release through hydrogen bond–mediated layer twisting
Science Advances·2025Open Access
Altermagnetism induced surface Chern insulator
arXiv (Cornell University)·2025Open Access
Advancing AI-Driven Analysis in X-ray Absorption Spectroscopy: Spectral Domain Mapping and Universal Models
arXiv (Cornell University)·2025Open Access
High Q-factor resonance with strong circular dichroism driven by accidental bound states in the continuum in all dielectric metasurface
Physics Letters A·2025· 1 cited
OmniXAS: A universal deep-learning framework for materials x-ray absorption spectra
Physical Review Materials·2025· 4 citedOpen Access
Resolving the Solvation Structure and Transport Properties of Aqueous Zinc Electrolytes from Salt-in-Water to Water-in-Salt Using Neural Network Potential
PRX Energy·2025· 7 citedOpen Access
Resolving local structural motifs across the phase evolution of zinc titanates with computational x-ray absorption spectroscopy
Physical Review Materials·2025· 1 citedOpen Access
Optimization of Scattering Image for Biomedical Applications
SSRN Electronic Journal·2025Open Access
X-ray magnetic circular dichroism and resonant inelastic X-ray scattering explained: role of many-body correlation and mixed-valence fluctuations
arXiv (Cornell University)·2024Open Access
CuXASNet: Rapid and Accurate Prediction of Copper L-edge X-Ray Absorption Spectra Using Machine Learning
arXiv (Cornell University)·2024Open Access
Elucidating the Discharge Behavior of Aqueous Zinc Sulfur Batteries in the Presence of Molybdenum(IV) Chalcogenide Catalyst: The Criticality of Interfacial Electrochemistry
ACS Applied Materials & Interfaces·2024· 3 citedOpen Access
Spectroscopy-guided discovery of three-dimensional structures of disordered materials with diffusion models
Machine Learning Science and Technology·2024· 11 citedOpen Access
Enhancing Chiroptoelectronic Activity in Chiral 2D Perovskites via Chiral–Achiral Cation Mixing
Advanced Optical Materials·2024· 6 citedOpen Access
OmniXAS: A Universal Deep-Learning Framework for Materials X-ray Absorption Spectra
arXiv (Cornell University)·2024Open Access
Prediction of the Cu oxidation state from EELS and XAS spectra using supervised machine learning
npj Computational Materials·2024· 19 citedOpen Access
In situ Synchrotron X‐ray Metrology Boosted by Automated Data Analysis for Real‐time Monitoring of Cathode Calcination
Small Methods·2024· 1 citedOpen Access
Emerging Atomistic Modeling Methods for Heterogeneous Electrocatalysis
Chemical Reviews·2024· 74 citedOpen Access
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Frequent Co-authors

Giulia Galli(9), Mehmet Topsakal(8), Klaus Schulten(7), Mengen Wang(7), J. Anibal Boscoboinik(6), Anatoly I. Frenkel(5), Matthew R. Carbone(5), Shinjae Yoo(5), Jian‐Qiang Zhong(5), Darı́o Stacchiola(5), Feng Wang(4), Yan Li(4), Yan Li(4), Nusnin Akter(4), Lijun Wu(3), Yimei Zhu(3), Janis Timoshenko(3), Dario Rocca(3), Melih Şener(3), Sanghyun Park(3)