From Fermions to Qubits: A ZX-Calculus Perspective

Abstract

Mapping fermionic systems to qubits on a quantum computer is often the first step for algorithms in quantum chemistry and condensed matter physics. However, it is difficult to reconcile the many different approaches that have been proposed, such as those based on binary matrices, ternary trees, and stabilizer codes. This challenge is further exacerbated by the many ways to describe them -- transformation of Majorana operators, action on Fock states, encoder circuits, and stabilizers of local encodings -- making it challenging to know when the mappings are equivalent. In this work, we present a graphical framework for fermion-to-qubit mappings that streamlines and unifies various representations through the ZX-calculus. To start, we present the correspondence between linear encodings of the Fock basis and phase-free ZX-diagrams. The commutation rules of scalable ZX-calculus allows us to convert the fermionic operators to Pauli operators under any linear encoding. Next, we give a translation from ternary tree mappings to scalable ZX-diagrams, which not only directly represents the encoder map as a CNOT circuit, but also retains the same structure as the tree. Consequently, we graphically prove that ternary tree transformations are equivalent to linear encodings, a recent result by Chiew et al. The scalable ZX representation moreover enables us to construct an algorithm to directly compute the binary matrix for any ternary tree mapping. Lastly, we present the graphical representation of local fermion-to-qubit encodings. Its encoder ZX-diagram has the same connectivity as the interaction graph of the fermionic Hamiltonian and also allows us to easily identify stabilizers of the encoding.