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CMDLab's Projects

hetero2d icon hetero2d

Automate the discovery of stable 2D materials stacked on substrates (either another 2d or substrate surface)! Compute the properties of the interacting system!

ml-gwbse icon ml-gwbse

Python codes to develop ML models using GW-BSE database and applying it with Materials Project data

pygwbse icon pygwbse

python workflow for GW-BSE calculation

ssmc icon ssmc

Screening code for SSMC project

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