A Backend-agnostic, Quantum-classical Framework for Simulations of Chemistry in C <tt>++</tt>

نویسندگان

چکیده

As quantum computing hardware systems continue to advance, the research and development of performant, scalable, extensible software architectures, languages, models, compilers is equally as important bring this novel coprocessing capability a diverse group domain computational scientists. For field chemistry, applications frameworks exist for modeling simulation tasks that scale on heterogeneous classical we envision need similar quantum-classical platforms. Here, present XACC system-level framework platform prototyping, developing, deploying specifically targets chemistry applications. We review fundamental design features in XACC, with special attention its extensibility modularity key programming workflow interfaces provide an overview most relevant simulations chemistry. A series examples demonstrating some state-of-the-art algorithms currently implemented are presented, while also illustrating various APIs would enable community extend, modify, devise new realm

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ژورنال

عنوان ژورنال: ACM transactions on quantum computing

سال: 2022

ISSN: ['2643-6817', '2643-6809']

DOI: https://doi.org/10.1145/3523285