Related papers: Faster quantum chemistry simulations on a quantum …
Quantum circuit simulation is crucial for the development of quantum algorithms, particularly given the high cost and noise limitations of physical quantum hardware. While full-state quantum circuit simulation is commonly employed for…
Simulating electronic structure on a quantum computer requires encoding of fermionic systems onto qubits. Common encoding methods transform a fermionic system of $N$ spin-orbitals into an $N$-qubit system, but many of the fermionic…
Achieving quantum speedups in practical tasks remains challenging for current noisy intermediate-scale quantum (NISQ) devices. These devices always encounter significant obstacles such as inevitable physical errors and the limited…
We extend molecular bootstrap embedding to make it appropriate for implementation on a quantum computer. This enables solution of the electronic structure problem of a large molecule as an optimization problem for a composite Lagrangian…
Circuit knitting offers a promising path to the scalable execution of large quantum circuits by breaking them into smaller sub-circuits whose output is recombined through classical postprocessing. However, current techniques face excessive…
Quantum reservoir computing (QRC) exploits the dynamical properties of quantum systems to perform machine learning tasks. We demonstrate that optimal performance in QRC can be achieved without relying on disordered systems. Systems with…
One of the major challenges in realizing fault-tolerant quantum computers (FTQCs) is the requirement for a large number of physical qubits. To address this issue, high-rate quantum error correcting codes, which efficiently embed logical…
The difficulty of simulating quantum systems, well-known to quantum chemists, prompted the idea of quantum computation. One can avoid the steep scaling associated with the exact simulation of increasingly large quantum systems on…
Modern challenges arising in the fields of theoretical and experimental physics require new powerful tools for high-precision electronic structure modelling; one of the most perspective tools is the relativistic Fock space coupled cluster…
Machine learning has been increasingly utilized in the field of biomedical research to accelerate the drug discovery process. In recent years, the emergence of quantum computing has been followed by extensive exploration of quantum machine…
Quantum computing has the potential to revolutionize multiple fields by solving complex problems that can not be solved in reasonable time with current classical computers. Nevertheless, the development of quantum computers is still in its…
First-quantized, real-space formulations of quantum chemistry on quantum computers are appealing: qubit count scales logarithmically with spatial resolution, and Coulomb operators achieve quadratic instead of quartic computational scaling…
Quantum computing promises disruptive capabilities, yet its energy footprint has received far less attention than its asymptotic speedups. We present a first-order, full-system energy model for quantum computing in an high performance…
Quantum algorithms require accurate representations of electronic states on a quantum device, yet the approximation of electronic wave functions for strongly correlated systems remains a profound theoretical challenge, with existing methods…
Quantum computing is emerging as a new computational paradigm with the potential to transform several research fields, including quantum chemistry. However, current hardware limitations (including limited coherence times, gate infidelities,…
The ADAPT-VQE algorithm is a promising method for generating a compact ansatz based on derivatives of the underlying cost function, and it yields accurate predictions of electronic energies for molecules. In this work we report the…
The study of quantum circuit simulation using classical computers is a key research topic that helps define the boundary of verifiable quantum advantage, solve quantum many-body problems, and inform development of quantum hardware and…
Quantum computers are exponentially faster than their classical counterparts in terms of solving some specific, but important problems. The biggest challenge in realizing a quantum computing system is the environmental noise. One way to…
Quantum computers are predicted to utilize quantum states to perform memory and to process tasks far faster than those of conventional classical computers. In this paper we show a new road towards building fault tolerance quantum computer…
Quantum Computing (QC) offers outstanding potential for molecular characterization and drug discovery, particularly in solving complex properties like the Ground State Energy (GSE) of biomolecules. However, QC faces challenges due to…