Related papers: Efficient and Noise-Resilient Molecular Quantum Si…
The most advanced techniques using fault-tolerant quantum computers to estimate the ground-state energy of a chemical Hamiltonian involve compression of the Coulomb operator through tensor factorizations, enabling efficient block-encodings…
H\"uckel molecular orbital (HMO) theory provides a semi-empirical treatment of the electronic structure in conjugated {\pi}-electronic systems. A scalable system-agnostic execution of HMO theory on a quantum computer is reported here based…
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…
Owing to the computational complexity of electronic structure algorithms running on classical digital computers, the range of molecular systems amenable to simulation remains tightly circumscribed even after many decades of work. Quantum…
We analyze the modification of entanglement dynamics in the Grover algorithm when the qubits are subjected to single-qubit amplitude-damping or phase-flip noise. We compare quantum trajectories with full density-matrix simulations,…
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…
Many-body fermionic quantum calculations performed on analog quantum computers are restricted by the presence of k-local terms, which represent interactions among more than two qubits. These originate from the fermion-to-qubit mapping…
Recent development of mixed-state encoding (MSE) allows pure-state logical information to be encoded by a bosonic (continuous-variable) system in mixed physical state. Despite interest due to its counter-intuitiveness, the utility of the…
Quantum computers potentially have an exponential advantage over classical computers for the quantum simulation of many-fermion quantum systems. Nonetheless, fermions are more expensive to simulate than bosons due to the fermionic encoding…
Quantum computer emulators model the behavior and error rates of specific quantum processors. Without accurate noise models in these emulators, it is challenging for users to optimize and debug executable quantum programs prior to running…
We introduce a general method based on the operators of the Dyson-Masleev transformation to map the Hamiltonian of an arbitrary model system into the Hamiltonian of a circuit Quantum Electrodynamics (cQED) processor. Furthermore, we…
Quantum computational chemistry holds great promise for simulating molecular systems more efficiently than classical methods by leveraging quantum bits to represent molecular wavefunctions. However, current implementations face significant…
We introduce novel algorithms for the quantum simulation of molecular systems which are asymptotically more efficient than those based on the Trotter-Suzuki decomposition. We present the first application of a recently developed technique…
Solid-state spin qubits have emerged as promising platforms for quantum information. Despite extensive efforts in controlling noise in spin qubit quantum applications, one important but less controlled noise source is near-field…
A promising route towards fault-tolerant quantum error correction is the concatenation of a Gottesman-Kitaev-Preskill (GKP) code with a qubit code. Development of such concatenated codes requires simulation tools which realistically model…
We explore how the fundamental problems in quantum molecular dynamics can be modelled using classical simulators (emulators) of quantum computers and the actual quantum hardware available to us today. The list of problems we tackle includes…
The variational quantum eigensolver (VQE) is one of the most appealing quantum algorithms to simulate electronic structure properties of molecules on near-term noisy intermediate-scale quantum devices. In this work, we generalize the VQE…
Scalable characterization of quantum processors is crucial for mitigating noise and imperfections. While randomized measurement protocols enable efficient access to local observables, inferring a globally consistent description of…
The required precision to perform quantum simulations beyond the capabilities of classical computers imposes major experimental and theoretical challenges. The key to solving these issues are precise means of characterizing analog quantum…
Quantum algorithms offer a dramatic speedup for computational problems in machine learning, material science, and chemistry. However, any near-term realizations of these algorithms will need to be heavily optimized to fit within the finite…