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Tutorial-on-atomic-simulations

Here, we give some tutorials on atomic simulations based on GPUMD package.

  1. The phonon participation ratios are calculated with the GPUMD-2.9.1.
  2. The elastic constants based on strain fluctuation method are calculated with the GPUMD-3.0.
  3. Phonon Dispersion and Vibration Mode Visualization of Graphene GPUMD-2.9.1.
  4. Quantum-corrected thermal conductivity of amorphous carbon GPUMD-3.3.