no code implementations • 18 Jan 2024 • Gil Goldshlager, Nilin Abrahamsen, Lin Lin
Neural network wavefunctions optimized using the variational Monte Carlo method have been shown to produce highly accurate results for the electronic structure of atoms and small molecules, but the high cost of optimizing such wavefunctions prevents their application to larger systems.
no code implementations • 21 Mar 2023 • Nilin Abrahamsen, Zhiyan Ding, Gil Goldshlager, Lin Lin
We provide theoretical convergence bounds for the variational Monte Carlo (VMC) method as applied to optimize neural network wave functions for the electronic structure problem.
1 code implementation • 7 Dec 2021 • Jeffmin Lin, Gil Goldshlager, Lin Lin
We then consider a factorized antisymmetric (FA) layer which more directly generalizes the FermiNet by replacing products of determinants with products of antisymmetrized neural networks.