expsolve

A differentiable numerical algorithms package for computational quantum mechanics.

Installation

To install, run:

pip install expsolve

Features

• Time-propagators for linear, non-linear and non-autonomous equations based on

  • Splitting and Composition methods [available]
  • Exponential Integrators [to be added]
  • Magnus expansion [to be added]
  • Commutator-free methods [to be added]
  • Krylov subspace methods [to be added]
  • Rational and Shift-and-Invert Krylov methods [to be added]
  • Rational approximations [to be added]

• Spatial representations including

  • Fourier spectral discretisation [available]
  • Finite differences [to be added]
  • Hexagonal grids [available]
  • Spin systems [to be added]

Tutorials

Please see the examples directory for tutorial notebooks.

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