Related papers: Analyzing Common Electronic Structure Theory Algor…
Scalable distributed quantum computing (DQC) has motivated the design of multiple quantum data-center (QDC) architectures that overcome the limitations of single quantum processors through modular interconnection. While these architectures…
Distributed Ledger Technology (DLT) is a shared, synchronized and replicated data spread spatially and temporally with no centralized administration and/or storage. Each node has a complete and identical set of records. All participants…
The development of fault-tolerant quantum computers (FTQCs) is receiving increasing attention within the quantum computing community. Like conventional digital computers, FTQCs, which utilize error correction and millions of physical…
Design space exploration (DSE) plays an important role in optimising quantum circuit execution by systematically evaluating different configurations of compilation strategies and hardware settings. In this work, we study the impact of…
Distributed quantum computing (DQC) is a promising technique for scaling up quantum systems. While significant progress has been made in DQC for quantum circuit models, there exists much less research on DQC for measurement-based quantum…
Quantum computational chemistry has emerged as an important application of quantum computing. Hybrid quantum-classical computing methods, such as variational quantum eigensolvers (VQE), have been designed as promising solutions to quantum…
Classical simulation of quantum computers is an irreplaceable step in the design of quantum algorithms. Exponential simulation costs demand the use of high-performance computing techniques, and in particular distribution, whereby the…
This paper addresses the challenge of scaling quantum computing by employing distributed quantum algorithms across multiple processors. We propose a novel circuit partitioning method that leverages graph partitioning to optimize both qubit…
Chemistry and materials science are widely regarded as potential killer application fields for quantum hardware. While the dream of unlocking unprecedented simulation capabilities remains compelling, quantum algorithm development must adapt…
As quantum computers scale, single-chip architectures face inherent limitations in qubit count. It drives the need for modular quantum computing and Quantum Data Centers (QDCs), where multiple quantum processor units (QPUs) are…
Quantum computational chemistry is a potential application of quantum computers that is expected to effectively solve several quantum-chemistry problems, particularly the electronic structure problem. Quantum computational chemistry can be…
With the increasing rise of publicly available high level quantum computing languages, the field of Quantum Computing has reached an important milestone of separation of software from hardware. Consequently, the study of Quantum Algorithms…
Although deep learning (DL) has already become a state-of-the-art technology for various data processing tasks, data security and computational overload problems often arise due to their high data and computational power dependency. To…
Quantum computing promises to speed up some of the most challenging problems in science and engineering. Quantum algorithms have been proposed showing theoretical advantages in applications ranging from chemistry to logistics optimization.…
Quantum computers face inherent scaling challenges, a fact that necessitates investigation of distributed quantum computing systems, whereby scaling is achieved through interconnection of smaller quantum processing units. However,…
Quantum computers hold promise to improve the efficiency of quantum simulations of materials and to enable the investigation of systems and properties more complex than tractable at present on classical architectures. Here, we discuss…
This chapter discusses contemporary quantum chemical methods and provides general insights into modern electronic structure theory with a focus on heavy-element-containing compounds. We first give a short overview of relativistic…
The study and prediction of chemical reactivity is one of the most important application areas of molecular quantum chemistry. Large-scale, fully error-tolerant quantum computers could provide exact or near-exact solutions to the underlying…
Quantum computing offers the potential to solve certain complex problems, yet, scaling monolithic processors remains a major challenge. Modular and distributed architectures are proposed to build large-scale quantum systems while bringing…
The simulation of electronic properties is a pivotal issue in modern electronic structure theory, driving significant efforts over the past decades to develop protocols for computing energy derivatives. In this work, we address this problem…