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1. Co-evolutionary-crystal-structure-prediction-algorithm-for-complex-systems Co-evolutionary-crystal-structure-prediction-algorithm-for-complex-systems Public

   Crystal structure prediction has been widely used to accelerate the discovery of new materials in recent years. Up to this day, it remains a challenge to predict the stable stoichiometries and stru…

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2. TB_files TB_files Public

   Tight-binding Hamiltonians

3. HopTB.jl HopTB.jl Public

   Forked from HopTB/HopTB.jl

   Tight-binding package written in Julia

   Julia

4. MT2_PT MT2_PT Public

   A DeepMD potential for monolayer MoTe2.