Universal Ensemble-Embedding Graph Neural Network for Direct Prediction of Optical Spectra from Crystal Structures

Structural constraint integration in a generative model for the discovery of quantum materials

Full-potential Linearized Augmented Plane Wave code FLEUR: All-electron DFT (repo mirror)

Full-potential Korringa-Kohn-Rostoker Green function code JuKKR: All-electron DFT (repo mirror)

Interactive tools for the visualization and analysis of multidimensional photoemission data

Here, we present a framework using large language models (LLMs) to predict synthesis pathways for inorganic materials, including quantum materials.

Numerical effective field theory approach to quantum materials.

Quantum Materials Data Acquisition and Processing (QuDAP), a Python-based and open-source software package, is designed to control and automate material characterizations based on the Physical Property Measurement System (PPMS).

Architecture informatique Post-Von Neumann exploitant la physique de la matière condensée. Convergence de la Frustration Géométrique (Ising), des Cristaux Temporels (Mémoire Quantique) et de la Skyrmionique (Logique Topologique).

Comprehensive Python framework for twisted bilayer graphene simulation with neural network-accelerated Dirac point prediction.

Un cadre théorique unifiant l'électrification de contact, la frustration géométrique et les états électroniques exotiques (cristaux de Wigner, phases de pinball) pour la prochaine génération de nanogénérateurs et d'informatique topologique.