Useful Quantum Computation For Quantum Chemistry
- Winner CECAM-Lorentz call 2020 -
22 - 26 February 2021
It has been claimed that Quantum computers have crossed the supremacy barrier , solving a problem intractable
on classical computers in any reasonable amount of time. However, the problem in question, random quantum circuit simulation,
is of little interest to the wider world.
This presents a next milestone to look towards — quantum usefulness — when quantum computers begin to solve problems of interest in the wider world of science and computer science. For these problems, the competition with classical algorithms is fierce, and the current emerging quantum platforms are noisy and have device-specific connectivity . On the other hand, there are interesting options for using hybrid quantum-classical algorithms, meaning that the quantum computer performs a small but key part of a larger classical algorithm.
Quantum chemistry has been identified as a key area in which quantum computers could find use . Initial cost analyses have been made [4, 5], but further exploration of this large field is critical to determine which classes of problems are most amenable for solution by quantum computing. This exploration requires close collaboration between the fields of quantum algorithm development and computational chemistry, to (1) integrate quantum computing algorithms with pre-existing software and methods, and (2) to define the most interesting problems in chemistry to be targeted by the new algorithms.