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Solving the electronic Schrödinger equation for multiple nuclear geometries with weight-sharing deep neural networks.
Michael Scherbela
Rafael Reisenhofer
Leon Gerard
Philipp Marquetand
Philipp Grohs
Published in:
Nat. Comput. Sci. (2022)
Keyphrases
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hamilton jacobi
neural network
heat equation
wave equation
eikonal equation
distance transform
nonlinear equations
artificial neural networks
fuzzy logic
back propagation
multi layer
digital libraries
mathematical model
information sharing
differential equations
finite difference
weight update
image segmentation