Smart Machine Learning for Solving the Full Electron-Nuclear Schr"odinger Equation with a Quantum-Chemically Inspired Wavefunction Ansatz
physics.chem-ph, physics.comp-ph, quant-ph
Submitted: 2026-09-30
Updated: 2026-09-30
Code: https://github.com/icrosoft/folx
Terminology
Sources
- A Score-Based Model for Learning Neural Wavefunctions
- First principles physics-informed neural network for quantum wavefunctions and eigenvalue surfaces
- Solving Schr\"odinger Equation with a Language Model
- Ab-initio simulation of excited-state potential energy surfaces with transferable deep quantum Monte Carlo
- Revisiting the Broken Symmetry Phase of Solid Hydrogen: A Neural Network Variational Monte Carlo Study
- Permutation invariant multi-scale full quantum neural network wavefunction
- Better, Faster Fermionic Neural Networks
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