Gian‐Marco Rignanese

UCLouvain — Belgium

Materials Science · Physical Sciences

58h-index20.8kcitations324works7.72yr avg
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Research Topics

Machine Learning in Materials Science(66), Semiconductor materials and devices(45), Electronic and Structural Properties of Oxides(38), X-ray Diffraction in Crystallography(22), ZnO doping and properties(21)

Publications324 total

One-step facile synthesis of polyphenol-assisted gold-platinum core-shell nanozymes for multi-enzyme mimicry in diabetic wound repair
Chemical Engineering Journal·2026Open Access
Curation and Featurization of Multiple Topological Materials Databases
Chinese Physics B·2025
Generative AI for crystal structures: a review
npj Computational Materials·2025Open Access
Interlayer Electron Redistribution Engineering for Ultralow Friction in 2D Electrides
Advanced Functional Materials·2025
On the Role of Interlayer Electrons on the Frictional Behavior of Two-Dimensional Electrides
arXiv (Cornell University)·2025Open Access
Abinit 2025: New capabilities for the predictive modeling of solids and nanomaterials
The Journal of Chemical Physics·2025· 5 citedOpen Access
Combining feature-based approaches with graph neural networks and symbolic regression for synergistic performance and interpretability
2025Open Access
Generative AI for Crystal Structures: A Review
arXiv (Cornell University)·2025Open Access
Response properties of inorganic materials from high-throughput density-functional perturbation theory and machine-learning
2025
Accelerated data-driven materials science with the Materials Project
Nature Materials·2025· 85 citedOpen Access
Author response for "Accelerating the discovery of high-performance nonlinear optical materials using active learning and high-throughput screening"
2025
Datatractor: Metadata, automation, and registries for extractor interoperability in the chemical and materials sciences
MRS Bulletin·2025· 1 citedOpen Access
Machine learning on multiple topological materials datasets
npj Computational Materials·2025Open Access
High-throughput Computational Discovery of Long Carrier Lifetime and Stable New Solar Absorbers
2025
Lithium Intercalation in the Anisotropic van der Waals Magnetic Semiconductor CrSBr
arXiv (Cornell University)·2025Open Access
Surface plasmon polaritons in multilayer jellium systems: Dispersion and spatial description
Physical review. B./Physical review. B·2025Open Access
Second-Harmonic Generation Response in Nitridophosphates <i>M</i>P<sub>2</sub>N<sub>4</sub> (M = Ge, Sn, Pb) and the Role of Stereochemically Active Lone Pairs
Chemistry of Materials·2025· 3 citedOpen Access
First-Principles Understanding of Hole Mobility and Intrinsic Transport Mechanisms in Sn(II) Oxides
2025Open Access
<i>AI for Science</i>―a journal to serve the AI-driven scientific innovation
AI for Science·2025· 1 citedOpen Access
Machine Learning on Multiple Topological Materials Datasets
arXiv (Cornell University)·2025Open Access
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Frequent Co-authors

Xavier Gonze(24), Geoffroy Hautier(23), Matteo Giantomassi(12), David Waroquiers(9), Matthieu J. Verstraete(8), Guido Petretto(8), Jean‐Christophe Charlier(7), F. Jollet(6), Marc Torrent(6), Philippe Ghosez(6), D. R. Hamann(6), Michiel J. van Setten(6), Anna Miglio(6), Alfredo Pasquarello(6), Fabien Bruneval(5), Michel Côté(5), Guillaume Brunin(5), Francesco Ricci(5), Bernard Amadon(4), Damien Caliste(4)