Simon J. L. Billinge

Brookhaven National Laboratory — United States

Materials Science · Physical Sciences

83h-index29.4kcitations647works3.12yr avg
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Research Topics

X-ray Diffraction in Crystallography(269), Machine Learning in Materials Science(76), Magnetic and transport properties of perovskites and related materials(74), Advanced Condensed Matter Physics(69), Crystal Structures and Properties(68)

Publications647 total

Representation of Inorganic Synthesis Reactions and Prediction: Graphical Framework and Datasets
arXiv (Cornell University)·2025Open Access
Structural Templation of MOF-Derived Zirconia Nanoparticles
ACS Applied Materials & Interfaces·2025Open Access
Ligand-induced symmetry breaking, size andmorphology in colloidal lead sulfide QDs: fromclassic to thiourea precursors
2025
Chemical Control of Symmetry and Bandgap in Tungsten Oxyhalide van der Waals Semiconductors
Journal of the American Chemical Society·2025· 1 citedOpen Access
The Future of Artificial Intelligence and the Mathematical and Physical Sciences (AI+MPS)
arXiv (Cornell University)·2025Open Access
Atomic pair distribution functions from textured polycrystalline samples: fundamentals
Acta Crystallographica Section A Foundations and Advances·2025· 1 citedOpen Access
Author Correction: Ab initio structure solutions from nanocrystalline powder diffraction data via diffusion models
Nature Materials·2025· 1 citedOpen Access
scikit-package -- software packaging standards and roadmap for sharing reproducible scientific software
arXiv (Cornell University)·2025Open Access
Anisotropic node distortions in amorphous MOFs: Low-valent Zr sites as catalytic hotspots
Chem·2025· 3 citedOpen Access
Testing Protocols for Obtaining Reliable Pair Distribution Functions from Laboratory X‐Ray Sources Using <scp>PDFge</scp><scp>tX3</scp>
Chemistry - Methods·2025· 3 citedOpen Access
Ab initio structure solutions from nanocrystalline powder diffraction data via diffusion models
Nature Materials·2025· 14 citedOpen Access
An Absorption Correction for Reliable Pair-Distribution Functions from Low Energy X-ray Sources
arXiv (Cornell University)·2025Open Access
Interpretable multimodal machine learning analysis of X-ray absorption near-edge spectra and pair distribution functions
npj Computational Materials·2025· 6 citedOpen Access
Charge Density Wave and Ferromagnetism in Intercalated CrSBr
Advanced Materials·2025· 17 cited
Local orthorhombic phase in zirconium oxide nanocrystals: insights from X-ray pair distribution function analysis
Journal of Applied Crystallography·2025Open Access
Charge Density Wave and Ferromagnetism in Intercalated CrSBr
arXiv (Cornell University)·2024Open Access
Anisotropic Node Distortions in Amorphous MOFs: Low Valent Zr Sites as Catalytic Hotspots
2024· 1 citedOpen Access
Do materials have a genome, and if they do, what can be done with it?
Matter·2024Open Access
Interpretable Multimodal Machine Learning Analysis of X-ray Absorption Near-Edge Spectra and Pair Distribution Functions
arXiv (Cornell University)·2024Open Access
Rapid Modeling of the Local Structure of Metal Oxide Nanoparticles from PDF Data: A Case Study Using TiO<sub>2</sub> Nanoparticles
Chemistry of Materials·2024· 3 cited
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Frequent Co-authors

Pavol Juhás(8), Thomas Proffen(7), Christopher L. Farrow(6), Emil S. Božin(5), Mercouri G. Kanatzidis(5), Chenyang Shi(4), Yury Gogotsi(4), Valeri Petkov(4), Maxwell W. Terban(4), Xiangyun Qiu(3), G. H. Kwei(3), Xiaohao Yang(3), Jonathan S. Owen(3), Brian DeCost(2), Michael Naguib(2), Olha Mashtalir(2), Michel W. Barsoum(2), Babak Anasori(2), Steven J. May(2), Thomas Vogt(2)