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Report abuseA comprehensive framework of AIMD simulations and Rietveld refinement data explaining the 3.2-fold enhancement of CO2 adsorption in humid Cs-RHO zeolites.
Python 1
We developed graph convolutional networks to screen adsorbates in MOFs materials based on the pore sizes.
Jupyter Notebook
DOSTransformer is a prompt-guided multimodal transformer architecture designed to predict the Density of States (DOS) of crystalline materials.
Jupyter Notebook
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