QDE

Solves systems of ordinary first-order nonlinear differential equations by reformulating them in terms of Quadratic Unconstrained Binary Optimization (QUBO) problems, which allows to obtain solution on quantum annealers. Contains example application to molecular dynamics.

Running

No installation is required. To run the code, simply run test_core.py with a Python 3 interpreter, which will propagate a simple example of the hydrogen vibrational trajectory with the default options. Alternative options can be provided as arguments to get_solution in main function of test_core.py.

A new problem (other than the hydrogen vibration) can be defined by modifying get_problem function in test_core.py. See the existing definitions and the docstring comments for more details on this.