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  1. CLR-for-Li-adsorption-on-regular-Janus-TMDs CLR-for-Li-adsorption-on-regular-Janus-TMDs Public

    Forked from Akram-Ibrahim/CLR-for-Li-adsorption-on-regular-Janus-TMDs

    This is a cluster-wise linear regression (CLR) machine learning model to predict the adsorption energies of Li on 2D materials. The dataset contains 75 examples of Li adsorption on top of regular a…

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  2. NNP-nonstoichiometric-chromium-sulfides NNP-nonstoichiometric-chromium-sulfides Public

    Forked from Akram-Ibrahim/NNP-nonstoichiometric-chromium-sulfides

    This repository contains the data and codes utilized in this paper "Modeling Chemical Exfoliation of Non-van der Waals Chromium Sulfides by Machine Learning Interatomic Potentials and Monte Carlo S…

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  3. GNN-frequency-dependent-optical-properties GNN-frequency-dependent-optical-properties Public

    Forked from Akram-Ibrahim/GNN-frequency-dependent-optical-properties

    Use GNNs to predict the frequency-dependent dielectric function from crystal structures.

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