Raul A. Santos

The limiting constraint on simulating materials on near-term quantum hardware is the requisite circuit depths and qubit numbers, with current estimates placing them well beyond near-term capabilities. A critical subroutine of simulation algorithms is implementing a layer of unitary evolutions by each local term in the Hamiltonian. In this work we develop a new quantum algorithm which dramatically reduces the estimated cost of material simulations using this subroutine, improving circuit depths by up to 6 orders of magnitude for Strontium Vanadate, for example. We achieve this by introducing a fermionic encoding that leverages the locality of materials Hamiltonians describing an active space in the Wannier basis. This design generates quantum circuits whose depth is independent of the system’s size.