Related papers: Faster quantum chemistry simulations on a quantum …
As post-quantum cryptography (PQC) becomes increasingly critical for securing future communication systems, the performance overhead introduced by quantum-resistant algorithms presents a major computing challenge. HQC (Hamming Quasi-Cyclic)…
Many organizations that vitally depend on computation for their competitive advantage are keen to exploit the expected performance of quantum computers (QCs) as soon as quantum advantage is achieved. The best approach to deliver hardware…
We present a quantum algorithm for the simulation of molecular systems that is asymptotically more efficient than all previous algorithms in the literature in terms of the main problem parameters. As in previous work [Babbush et al., New…
Immense interest in quantum computing has prompted development of electronic structure methods that are suitable for quantum hardware. However, the slow pace at which quantum hardware progresses, forces researchers to implement their ideas…
Near term quantum devices have the potential to outperform classical computing through the use of hybrid classical-quantum algorithms such as Variational Quantum Eigensolvers. These iterative algorithms use a classical optimiser to update a…
Quantum computing promises to revolutionize various fields, yet the execution of quantum programs necessitates an effective compilation process. This involves strategically mapping quantum circuits onto the physical qubits of a quantum…
Four decades after Richard Feynman's famous remark, we have reached a stage at which nature can be simulated quantum mechanically. Quantum simulation is among the most promising applications of quantum computing. However, like many quantum…
Quantum machine learning (QML) has great potential for the analysis of chemical datasets. However, conventional quantum data-encoding schemes, such as fingerprint encoding, are generally unfeasible for the accurate representation of…
We investigate fully self-consistent multiscale quantum-classical algorithms on current generation superconducting quantum computers, in a unified approach to tackle the correlated electronic structure of large systems in both quantum…
Given a quantum algorithm, it is highly nontrivial to devise an efficient sequence of physical gates implementing the algorithm on real hardware and incorporating topological quantum error correction. In this paper, we present a first step…
Designing quantum processors is a complex task that demands advanced verification methods to ensure their correct functionality. However, traditional methods of comprehensively verifying quantum devices, such as quantum process tomography,…
Molecular simulations are widely regarded as leading candidates to demonstrate quantum advantage--defined as the point at which quantum methods surpass classical approaches in either accuracy or scale. Yet the qubit counts and error rates…
Quantum computing has emerged as a promising platform for simulating strongly correlated systems in chemistry, for which the standard quantum chemistry methods are either qualitatively inaccurate or too expensive. However, due to the…
The promise of quantum computing lies in harnessing programmable quantum devices for practical applications such as efficient simulation of quantum materials and condensed matter systems. One important task is the simulation of…
X-ray absorption spectroscopy (XAS) is a leading technique for understanding structural changes in advanced battery materials such as lithium-excess cathodes. However, extracting critical information like oxidation states from the…
Simulating dynamics of physical systems is a key application of quantum computing, with potential impact in fields such as condensed matter physics and quantum chemistry. However, current quantum algorithms for Hamiltonian simulation yield…
Quantum computers are special purpose machines that are expected to be particularly useful in simulating strongly correlated chemical systems. The quantum computer excels at treating a moderate number of orbitals within an active space in a…
The variational principle serves as a fundamental framework for describing equilibrium states of physical systems via the minimization or extremization of an energy-like functional. While quantum algorithms have demonstrated promising…
We present a novel multi-scale embedding scheme that links conventional QM/MM embedding and bootstrap embedding (BE) to allow simulations of large chemical systems on limited quantum devices. We also propose a mixed-basis BE scheme that…
Quantum circuit simulation is a challenging computational problem crucial for quantum computing research and development. The predominant approaches in this area center on tensor networks, prized for their better concurrency and less…