Solving the electronic Schrödinger equation for multiple nuclear geometries with weight-sharing deep neural networks.
Michael ScherbelaRafael ReisenhoferLeon GerardPhilipp MarquetandPhilipp GrohsPublished in: CoRR (2021)
Keyphrases
- hamilton jacobi
- neural network
- heat equation
- wave equation
- distance transform
- pattern recognition
- eikonal equation
- steady state
- medial axis
- algebraic equations
- nonlinear equations
- finite difference
- scale spaces
- level set method
- partial differential equations
- feed forward
- artificial neural networks
- digital libraries
- multiscale
- genetic algorithm