Related papers: Efficient algorithms for quantum chemistry on modu…
Duality quantum computing (DQC) offers the use of linear combination of unitaries (LCU), or generalized quantum gates, in designing quantum algorithms. DQC contains wave divider and wave combiner operations. The wave function of a quantum…
The simulation of molecules is a widely anticipated application of quantum computers. However, recent studies \cite{WBCH13a,HWBT14a} have cast a shadow on this hope by revealing that the complexity in gate count of such simulations…
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…
We introduce a parallel, GPU-accelerated implementation of the iterative qubit coupled cluster (iQCC) method that overcomes the exponential growth of the transformed Hamiltonian -- the principal bottleneck for classical emulation of quantum…
Practical applicability of quantum optimisation on near term devices is constrained by limited qubit counts and hardware noise, which restricts the scalability of quantum optimisation algorithms for combinatorial problems. The simulation of…
As quantum computing (QC) technologies mature, their integration into established high-performance computing (HPC) infrastructures is becoming a central objective for next-generation computing systems. However, unlocking the potential of…
As quantum devices continue to scale, distributed quantum computing emerges as a promising strategy for executing large-scale tasks across modular quantum processors. A central challenge in this paradigm is verifying the correctness of…
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…
Simulating quantum systems is one of the most promising avenues to harness the computational power of quantum computers. However, hardware errors in noisy near-term devices remain a major obstacle for applications. Ideas based on the…
Current experiments are taking the first steps toward noise-resilient logical qubits. Crucially, a quantum computer must not merely store information, but also process it. A fault-tolerant computational procedure ensures that errors do not…
The problem of simulating the thermal behavior of quantum systems remains a central open challenge in quantum computing. Unlike well-established quantum algorithms for unitary dynamics, \emph{provably efficient} algorithms for preparing…
In this paper, we investigate the use of variational quantum algorithms for simulating the thermodynamic properties of dinuclear metal complexes. Our study highlights the potential of quantum computing to transform advanced simulations and…
Distributed quantum computing is motivated by the difficulty in building large-scale, individual quantum computers. To solve that problem, a large quantum circuit is partitioned and distributed to small quantum computers for execution.…
Present quantum computers are constrained by limited qubit capacity and restricted physical connectivity, leading to challenges in large-scale quantum computations. Distributing quantum computations across a network of quantum computers is…
Quantum computation represents a revolutionary approach for solving problems in quantum chemistry. However, due to the limited quantum resources in the current noisy intermediate-scale quantum (NISQ) devices, quantum algorithms for large…
Perturbation theory is an important technique for reducing computational cost and providing physical insights in simulating quantum systems with classical computers. Here, we provide a quantum algorithm to obtain perturbative energies on…
State preparation for quantum algorithms is crucial for achieving high accuracy in quantum chemistry and competing with classical algorithms. The localized active space unitary coupled cluster (LAS-UCC) algorithm iteratively loads a…
This paper investigates co-scheduling algorithms for processing a set of parallel applications. Instead of executing each application one by one, using a maximum degree of parallelism for each of them, we aim at scheduling several…
The presented work provides a procedure for optimizing the communication cost of a distributed quantum circuit (DQC) in terms of the number of qubit teleportations. Because of technology limitations which do not allow large quantum…
Unitary and non-unitary diagonal operators are fundamental building blocks in quantum algorithms with applications in the resolution of partial differential equations, Hamiltonian simulations, the loading of classical data on quantum…