Related papers: Quantum ESPRESSO toward the exascale
A new scheme is proposed which will permit electron spin resonance pulse techniques to be used to realize a quantum computer with a 100 qbits, or more. The computation is performed on effective pure states which correspond to off-diagonal…
We introduce MindSpore Quantum, a pioneering hybrid quantum-classical framework with a primary focus on the design and implementation of noisy intermediate-scale quantum (NISQ) algorithms. Leveraging the robust support of MindSpore, an…
With the advent of exascale computing, effective load balancing in massively parallel software applications is critically important for leveraging the full potential of high performance computing systems. Load balancing is the distribution…
Quantum computing provides a new way for approaching problem solving, enabling efficient solutions for problems that are hard on classical computers. It is based on leveraging how quantum particles behave. With researchers around the world…
We review recent advances in the capabilities of the open source ab initio Quantum Monte Carlo (QMC) package QMCPACK and the workflow tool Nexus used for greater efficiency and reproducibility. The auxiliary field QMC (AFQMC) implementation…
As quantum computing evolves from theoretical promise to practical deployment, the demand for robust, portable, and scalable tools for quantum software experimentation is growing. This paper introduces Quantum Executor, a backend-agnostic…
Quantum Monte Carlo (QMC) methods deliver highly accurate electronic structure calculations but are computationally intensive. The quantum Monte Carlo kernel library (QMCkl) provides a modular, portable collection of high-performance…
Quantum computing is changing the way we think about computing. Significant strides in research and development for managing and harnessing the power of quantum systems has been made in recent years, demonstrating the potential for…
Quantum Computers, one fully realized, can represent an exponential boost in computing power. However, the computational power of the current quantum computers, referred to as Noisy Internediate Scale Quantum, or NISQ, is severely limited…
We detail our implementation of the random-phase-approximation based functional (RPAF) derived in our previous publication [Phys. Rev. B 110, 195151 (2024)] for the QUANTUM ESPRESSO (QE) package. We also make available the source files…
Quantum computing is an emerging computational paradigm that leverages the laws of quantum mechanics to perform elementary logic operations. Existing programming models for quantum computing were designed with fault-tolerant hardware in…
The development of tailored materials for specific applications is an active field of research in chemistry, material science and drug discovery. The number of possible molecules that can be obtained from a set of atomic species grow…
Quantum machine learning algorithms have emerged to be a promising alternative to their classical counterparts as they leverage the power of quantum computers. Such algorithms have been developed to solve problems like electronic structure…
We introduce ProjectQ, an open source software effort for quantum computing. The first release features a compiler framework capable of targeting various types of hardware, a high-performance simulator with emulation capabilities, and…
Quantum computers will change the cryptographic panorama. A technology once believed to lay far away into the future is increasingly closer to real world applications. Quantum computers will break the algorithms used in our public key…
Monte Carlo particle transport codes are well established on classical hardware and are considered as the reference tool for nuclear applications. In a growing number of domains, the design of algorithms is progressively shifting towards…
Quantum computing leverages the principles of quantum mechanics to perform computations far beyond the capabilities of classical systems, particularly in fields such as cryptography and optimization. However, current quantum programming…
Designing molecules with optimized properties remains a fundamental challenge due to the intricate relationship between molecular structure and properties. Traditional computational approaches that address the combinatorial number of…
Quantum engineering seeks to exploit quantum information to build, among others, computing, cybersecurity, and metrology technologies. Quantum Software Engineering (QSE) focuses on the information processing side of these technologies.…
The rapid progress of computer technology has been accompanied by a corresponding evolution of software development, from hardwired components and binary machine code to high level programming languages, which allowed to master the…