Computing Services

Hello, here are a few computational services provides by the GRADES.

Material modeling (estimate electronic and phonon dispersions via DFT/ab-inito, req. e.g. a CIF file).
Data sets are available at previous calculations.
Powder Diffraction/Fluorescence (estimates, req. a CIF file or chemical formula).
Data sets are available at previous calculations.
A.I. Data upload.
Data sets are available at /data/ai/

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