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We show that quantum number preserving Ans\"{a}tze for variational optimization in quantum chemistry find an elegant mapping to ultracold fermions in optical superlattices. Using native Hubbard dynamics, trial ground states of molecular…
Near-term quantum simulators are mostly based on qubit-based architectures. However, their imperfect nature significantly limits their practical application. The situation is even worse for simulating fermionic systems, which underlie most…
The most scalable proposed methods of simulating lattice fermions on noisy quantum computers employ encodings that eliminate nonlocal operators using a constant factor more qubits and a nontrivial stabilizer group. In this work, we…
A potential approach for demonstrating quantum advantage is using quantum computers to simulate fermionic systems. Quantum algorithms for fermionic system simulation usually involve the Hamiltonian evolution and measurements. However, in…
Variational quantum eigensolver (VQE) is demonstrated to be the promising methodology for quantum chemistry based on near-term quantum devices. However, many problems are yet to be investigated for this methodology, such as the influences…
The variational quantum eigensolver (VQE) has emerged as one of the leading quantum algorithms for solving electronic structure problems on near-term noisy intermediate-scale quantum devices. However, its practical application to quantum…
We develop a hybrid oscillator-qubit processor framework for quantum simulation of strongly correlated fermions and bosons that avoids the boson-to-qubit mapping overhead encountered in qubit hardware. This framework gives exact…
Simulating the dynamical properties of large-scale many-fermion systems is a longstanding goal of quantum chemistry, material science and condensed matter. Local fermion-to-qubit encodings have opened a new path for practical fermionic…
Quantum chemistry provides a target for quantum simulation of considerable scientific interest and industrial importance. The majority of algorithms to date have been based on a second-quantized representation of the electronic structure…
Simulating complex systems remains an ongoing challenge for classical computers, while being recognised as a task where a quantum computer has a natural advantage. In both digital and analogue quantum simulations the system description is…
Mappings between fermions and qubits are valuable constructions in physics. To date only a handful exist. In addition to revealing dualities between fermionic and spin systems, such mappings are indispensable in any quantum simulation of…
In recent work [arXiv:2003.06939v2] a novel fermion to qubit mapping -- called the compact encoding -- was introduced which outperforms all previous local mappings in both the qubit to mode ratio, and the locality of mapped operators. There…
Achieving an accurate description of fermionic systems typically requires considerably many more orbitals than fermions. Previous resource analyses of quantum chemistry simulation often failed to exploit this low fermionic number…
Calculating molecular energies is likely to be one of the first useful applications to achieve quantum supremacy, performing faster on a quantum than a classical computer. However, if future quantum devices are to produce accurate…
Molecule-optimized basis sets, based on approximate natural orbitals, are developed for accelerating the convergence of quantum calculations with strongly correlated (multi-referenced) electrons. We use a low-cost approximate solution of…
The fermionic quantum emulator (FQE) is a collection of protocols for emulating quantum dynamics of fermions efficiently taking advantage of common symmetries present in chemical, materials, and condensed-matter systems. The library is…
Solving atomic nuclei from first principles places enormous demands on computational resources, which grow exponentially with increasing number of particles and the size of the space they occupy. We present first quantum simulations based…
In order to simulate a system of fermions on a quantum computer, it is necessary to represent the fermionic states and operators on qubits. This can be accomplished in multiple ways, including the well-known Jordan-Wigner transform, as well…
Arrays of superconducting qubits and cavities offer a promising route for realizing highly controllable artificial materials. However, many analog simulations of superconducting circuit hardware have focused on bosonic systems. Fermionic…
Quantum simulations of chemistry in first quantization offer important advantages over approaches in second quantization including faster convergence to the continuum limit and the opportunity for practical simulations outside the…