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neural-networkchemistry

Ok to use Java to model quantum mechanical behavior with ANNs?

I am working on a independent project. I am studying chemistry in school, along with computer science and would like to know if it is possible to model certain wave function phenomenon (schroedinger's equation, hamiltonians, eigenvalues) using Artificial Neural Networks.

My main questions are:

  • Would I be able to program and compute from my laptop? My laptop is a Asus Q200e
  • If not possible from laptop would I be able to use my desktop which contains a i5 processor and a fast GPU?
Solution

  • Your questions

    1. Yes, may use your Asus Q200e to calculate your neural network.
    2. Using a more powerful computer is always appreciative. If are willing to go the extra mile and perform the calculations on your GPU, the process will be even faster.

    Applying neural networks to quatum mechanics

    There is actually some litterature on how to proceed with creating such neural networks. See this link for to get a few pointers: