The Chebyshev Interaction Model for Efficient Simulation (ChIMES) is
a machine-learned interatomic potential that can target chemical
reactivity. ChIMES models are able to approach quantum-accuracy
through a systematically improvable explicitly many-bodied basis
comprised of linear combinations of Chebyshev polynomials. ChIMES has
successfully been applied to a number of condensed phase systems,
including water under ambient and extreme conditions, molten carbon,
and liquid carbon monoxide under planetary interior conditions. ChIMES
can also be used as a many-body repulsive energy for the density
functional based tight binding (DFTB) method.

The ChIMES calculator comprises a flexible tool set for evaluating
ChIMES interactions (e.g. in simulations, single point calculations,
etc). Users have the option of directly embedding the ChIMES
calculator within their codes, or evaluating interactions through the
beginner-friendly serial interface, each of which have Python, C++, C,
and FORTRAN API's.

WWW: https://github.com/rk-lindsey/chimes_calculator