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  1. plumed2 plumed2 Public

    Forked from plumed/plumed2

    plumed 2

    C++

  2. MPA2suite/k_SRME MPA2suite/k_SRME Public

    Heat-conductivity benchmark test for foundational machine-learning potentials

    Python 18 3

  3. Crystal-Structures-Halide-perovskite Crystal-Structures-Halide-perovskite Public

    This repository contains experimentally known crystal structures of 3D Pb and Sn halide perovskites

    Jupyter Notebook 2

  4. Passivation-Halide-Perovskites Passivation-Halide-Perovskites Public

    Surface passivation of halide perovskites

    Jupyter Notebook

  5. Foundational-MLIPs-Halide-Perovskites Foundational-MLIPs-Halide-Perovskites Public

    Evaluation of foundational machine learning interatomic potentials for halide perovskites

    Python