I've done CuO relaxation in unit cell. I've done it with quantum espresso. Now I want to build Nanoparticles and it's structure. If any one can help me in this regard that would be very nice.
Please follow this link https://phys.org/news/2020-06-machine-nanoparticle-dynamics.html
Dear Dr. Al-Tae thanks for your recommendation. However the process the used is based on ML based. They don't provide any information on their coding so that I can use them. I don't know what to do.
I was hoping to use PSO or Genetic algorithm to predict Nanoparticle's structure. I've used PSO based tools Calypso. But I think for the lack of documentation I think I've used them wrong. Thus it doesn't give expected result.
After theoretical prediction, you have to synthesize those materials using any method like sol-gel. Then the nanocrystalline nature of the particles can be confirmed through XRD analysis or TEM analysis. I believe, XRD instrument is available in the Department of Physics, SUST. I am not sure whether you can confirm it by using any theoretical investigation.
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