A PyTorch compatible Differentiable Numerical Algorithms package for computational quantum mechanics


Keywords
PDE, dispersive, exponential, fourier, integrator, quantum, splitting
License
MIT
Install
pip install expsolve==0.1.7

Documentation

expsolve

pip install expsolve

A PyTorch compatible Differentiable Numerical Algorithms package for computational quantum mechanics.

Includes time-propagators based on splitting and composition methods, exponential integrators, Magnus expansion etc.

Current functionality is limited to Fourier discretisation in space.

Please see examples directory for tutorial notebooks.