Universal Ensemble-Embedding Graph Neural Network for Direct Prediction of Optical Spectra from Crystal Structures
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
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).
Here, we present a framework using large language models (LLMs) to predict synthesis pathways for inorganic materials, including quantum materials.
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