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  1. Twist2D Twist2D Public

    Forked from kYangLi/Twist2D

    Python code for twisting the 2D materials.

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  2. Atomistic-Adversarial-Attacks Atomistic-Adversarial-Attacks Public

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    This is a example to calculate energy and forces and dipole moment of PAH molecular by NWchem base on ase code.

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    Data for "Phonon transport in defect-laden bilayer Janus PtSTe using neural-network force fields".