# Ab-Initio Solution of the Many-Electron Schrödinger Equation with Deep Neural Networks

@article{Pfau2019AbInitioSO, title={Ab-Initio Solution of the Many-Electron Schr{\"o}dinger Equation with Deep Neural Networks}, author={David Pfau and James S. Spencer and Alexander G. de G. Matthews and W. Matthew C. Foulkes}, journal={ArXiv}, year={2019}, volume={abs/1909.02487} }

Given access to accurate solutions of the many-electron Schr\"odinger equation, nearly all chemistry could be derived from first principles. Exact wavefunctions of interesting chemical systems are out of reach because they are NP-hard to compute in general, but approximations can be found using polynomially-scaling algorithms. The key challenge for many of these algorithms is the choice of wavefunction approximation, or Ansatz, which must trade off between efficiency and accuracy. Neural… CONTINUE READING

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