Universal gate sets for quantum computing have been known for decades, yet no universal gate set has been proposed for particle-conserving unitaries, which are the operations of interest in quantum chemistry. In this work, we show that controlled single-excitation gates in the form of Givens rotations are universal for particle-conserving unitaries. Single-excitation gates describe an arbitrary U ( 2 ) rotation on the two-qubit subspace spanned by the states | 01 ⟩ , | 10 ⟩ , while leaving other states unchanged – a transformation that is analogous to a single-qubit rotation on a dual-rail qubit. The proof is constructive, so our result also provides an explicit method for compiling arbitrary particle-conserving unitaries. Additionally, we describe a method for using controlled single-excitation gates to prepare an arbitrary state of a fixed number of particles. We derive analytical gradient formulas for Givens rotations as well as decompositions into single-qubit and CNOT gates. Our results offer a unifying framework for quantum computational chemistry where every algorithm is a unique recipe built from the same universal ingredients: Givens rotations.
Universal gate sets for quantum computing have been known for decades, yet no universal gate set has been proposed for particle-conserving unitaries, which are the operations of interest in quantum chemistry. In this work, we show that controlled single-excitation gates in the form of Givens rotations are universal for particle-conserving unitaries. Single-excitation gates describe an arbitrary U ( 2 ) rotation on the two-qubit subspace spanned by the states | 01 ⟩ , | 10 ⟩ , while leaving other states unchanged – a transformation that is analogous to a single-qubit rotation on a dual-rail qubit. The proof is constructive, so our result also provides an explicit method for compiling arbitrary particle-conserving unitaries. Additionally, we describe a method for using controlled single-excitation gates to prepare an arbitrary state of a fixed number of particles. We derive analytical gradient formulas for Givens rotations as well as decompositions into single-qubit and CNOT gates. Our results offer a unifying framework for quantum computational chemistry where every algorithm is a unique recipe built from the same universal ingredients: Givens rotations.
Universal gate sets for quantum computation, when single and two qubit operations are accessible, include both Hermitian and non-Hermitian gates. Here we utilize the fact that any single-qubit operator may be implemented as two Hermitian gates, and thus a purely Hermitian universal set is possible. This implementation can be used to prepare high fidelity single-qubit states in the presence of amplitude errors, and helps to achieve a high fidelity single-qubit gate decomposition using four Hermitian gates. An implementational convenience can be that non-identity single-qubit Hermitian gates are equivalent to π rotations up to a global phase. We show that a gate set comprised of π rotations about two fixed axes, along with the CNOT gate, is universal for quantum computation. Moreover, we show that two π rotations can transform the axis of any multi-controlled unitary, a special case being a single CNOT sufficing for any controlled π rotation. These gates simplify the process of circuit compilation in view of their Hermitian nature. We exemplify by designing efficient circuits for a variety of controlled gates, and achieving a CNOT count reduction for the four-controlled Toffoli gate in LNN-restricted qubit connectivity.
Simulating physical systems on near-term quantum computers often requires preparing states within constrained subspaces, like those with fixed particle number or spin. We use Lie algebraic techniques to prove that hardware-efficient gates are universal for state preparation in these subspaces. The key mechanism is Pauli Z dressing: commutators of overlapping gates produce Pauli Z operators on shared qubits, acting as spectator projectors that decompose multi-plane rotations into single-plane generators spanning the full so(w) algebra, where w is the dimension of the constrained subspace, thereby guaranteeing universality for real state preparation. Adding independent complex phases extends this to su(w), enabling arbitrary complex state preparation. We provide a computationally efficient Jacobian criterion for verifying that a circuit can explore any direction on the target manifold from almost any parameter configuration. Our findings are applicable to many problem areas, including Fermi-Hubbard models, Bose-Hubbard models, and molecular electronic structure. We apply our framework to two physical settings: we prove the completeness of the binary encoded multi-level particles ansatz on the conserved-particle-number subspace, and we construct symmetry-preserving circuits for the fuzzy sphere regularisation of the 3D Ising conformal field theory (CFT). For the latter, we variationally prepare the ground and excited states and extract some CFT data.
We study the resources required to achieve universal quantum computing via the gate sets that provide the fundamental instructions from which quantum algorithms are built. While single-gate universal sets are known, they rely on precisely tuned irrational rotations, making them difficult to realize on near-term devices. We find that the controlled-V gate, an elementary two-qubit interaction directly implementable on leading hardware, is universal and capable of simulating standard universal gate sets with minimal overhead. Specifically, we use catalytic embeddings to develop a constant-overhead algorithm that simulates standard universal gate sets, including Clifford+T and Clifford+Toffoli. We combine this simulation algorithm with existing synthesis results to yield exact and approximate synthesis algorithms for unitaries with and without number-theoretic restrictions. The results highlight how full quantum computational power, complete with algorithms for synthesis and simulation, can emerge from unexpectedly simple ingredients.
We introduce an open source software package UniversalQCompiler written in Mathematica that allows the decomposition of arbitrary quantum operations into a sequence of single-qubit rotations (with arbitrary rotation angles) and controlled-NOT (C-NOT) gates. Together with the existing package QI, this allows quantum information protocols to be analysed and then compiled to quantum circuits. Our decompositions are based on Phys. Rev. A 93, 032318 (2016), and hence, for generic operations, they are near optimal in terms of the number of gates required. UniversalQCompiler allows the compilation of any isometry (in particular, it can be used for unitaries and state preparation), quantum channel, positive-operator valued measure (POVM) or quantum instrument, although the run time becomes prohibitive for large numbers of qubits. The resulting circuits can be displayed graphically within Mathematica or exported to LaTeX. We also provide functionality to translate the circuits to OpenQASM, the quantum assembly language used, for instance, by the IBM Q Experience.
We propose a universal gate set for quantum computing with all-to-all connectivity and intrinsic robustness to bit-flip errors based on parity encoding. We show that logical controlled phase gate and R_{z} rotations can be implemented in parity encoding with single-qubit operations. Together with logical R_{x} rotations, implemented via nearest-neighbor controlled-NOT gates and an R_{x} rotation, these form a universal gate set. As the controlled phase gate requires only single-qubit rotations, the proposed scheme has advantages for several cornerstone quantum algorithms, e.g., the quantum Fourier transform. We present a method to switch between different encoding variants via partial on-the-fly encoding and decoding.