相关论文: The Chronus Quantum (ChronusQ) Software Package

We present PINNACLE, an open-source computational framework for physics-informed neural networks (PINNs) that integrates modern training strategies, multi-GPU acceleration, and hybrid quantum-classical architectures within a unified modular…

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…

In current electronic structure research endeavors such as warm dense matter or machine learning applications, efficient development necessitates non-monolithic software, providing an extendable and flexible interface. The open-source idea…

We present the TRIQS library, a Toolbox for Research on Interacting Quantum Systems. It is an open-source, computational physics library providing a framework for the quick development of applications in the field of many-body quantum…

In this paper we introduce an open-source software package written in C++ for efficiently finding solutions to quadratic programming problems with linear complementarity constraints. These problems arise in a wide range of applications in…

Quantum computing enables parallelism through superposition and entanglement and offers advantages over classical computing architectures. However, due to the limitations of current quantum hardware in the noisy intermediate-scale quantum…

We introduce isQ, a new software stack for quantum programming in an imperative programming language, also named isQ. The aim of isQ is to make the programmers write quantum programs as conveniently as possible. In particular: 1) The isQ…

Quantum computing is advancing rapidly in hardware and algorithms, but broad accessibility demands a comprehensive, efficient, unified software stack. Such a stack must flexibly span diverse hardware and evolving algorithms, expose usable…

QMCPACK is an open source quantum Monte Carlo package for ab-initio electronic structure calculations. It supports calculations of metallic and insulating solids, molecules, atoms, and some model Hamiltonians. Implemented real space quantum…

Quantum ESPRESSO is an integrated suite of computer codes for electronic-structure calculations and materials modeling, based on density-functional theory, plane waves, and pseudopotentials (norm-conserving, ultrasoft, and…

Quantum computing has the potential to offer substantial computational advantages over conventional computing. Recent advances in quantum computing hardware and algorithms have enabled a class of classically parallel quantum workloads,…

In this paper, we motivate the need for a publicly available, generic software framework for question-answering (QA) systems. We present an open-source QA framework QANUS which researchers can leverage on to build new QA systems easily and…

We present an open-source software for the simulation of observables in magnetic resonance experiments, including nuclear magnetic/quadrupole resonance NMR/NQR and electron spin resonance (ESR), developed to assist experimental research in…

We present the TRIQS/Nevanlinna analytic continuation package, an efficient implementation of the methods proposed by J. Fei et al in [Phys. Rev. Lett. 126, 056402 (2021)] and [Phys. Rev. B 104, 165111 (2021)]. TRIQS/Nevanlinna strives to…

We present a language extension for parallel quantum programming to (1) remove ambiguities concerning parallelism in current quantum programming languages and (2) facilitate space-time tradeoff investigations in quantum computing. While the…

Quantum simulation of chemistry and materials is predicted to be an important application for both near-term and fault-tolerant quantum devices. However, at present, developing and studying algorithms for these problems can be difficult due…

We propose a runtime architecture that can be used in the development of a quantum programming language and its programming environment. The proposed runtime architecture enables dynamic interaction between classical and quantum data…

This is the Replicated Computational Results (RCR) Report for the paper C2|Q>: A Robust Framework for Bridging Classical and Quantum Software Development. The paper introduces a modular, hardware-agnostic framework that translates classical…

Fault tolerance is a long-term objective driving many companies and research organizations to compete in making current, imperfect quantum computers useful - Quantum Utility (QU). It looks promising to achieve this by leveraging software…

Qhronology is a novel scientific-computing package for studying quantum models of closed timelike curves (CTCs) and simulating general quantum information processing and computation. Written in Python, the program provides a comprehensive…