To maximize the value of fault-tolerant quantum computers, it is essential to develop concrete applications beyond well-established domains such as chemistry and condensed-matter physics. Here we construct and compile quantum algorithms to simulate the structure of atomic nuclei -- a topic that has received relatively little attention from the quantum computing community despite its similarities to the electronic structure problem in chemistry -- via effective shell-model Hamiltonians and no-core-shell-model Hamiltonians with three-body interactions derived from chiral effective field theory. Furthermore, we provide quantum resource estimates, in terms of Toffoli gate and qubit counts, for these algorithms, which, to our knowledge, are the first such estimates for fault-tolerant quantum simulation of atomic nuclei. Notably, the estimates for $^{32}$ Mg and $^{219}$ At shell-model Hamiltonians are comparable to recent estimates of Femoco simulations, a standard benchmark in chemistry. For no-core-shell-model Hamiltonians suitable for light nuclei (up to $^{40}$ Ca or so), we find that resource requirements are significantly higher, suggesting that more bespoke strategies are required to make such simulations practicable. Throughout this work, we draw upon the similarities between nuclear and electronic structure problems, while also highlighting challenges that are specific to the former. We hope this work will spur long-term collaborations between the nuclear and quantum computing community with the ultimate goal of realizing useful nuclear simulations on quantum computers.To maximize the value of fault-tolerant quantum computers, it is essential to develop concrete applications beyond well-established domains such as chemistry and condensed-matter physics. Here we construct and compile quantum algorithms to simulate the structure of atomic nuclei -- a topic that has received relatively little attention from the quantum computing community despite its similarities to the electronic structure problem in chemistry -- via effective shell-model Hamiltonians and no-core-shell-model Hamiltonians with three-body interactions derived from chiral effective field theory. Furthermore, we provide quantum resource estimates, in terms of Toffoli gate and qubit counts, for these algorithms, which, to our knowledge, are the first such estimates for fault-tolerant quantum simulation of atomic nuclei. Notably, the estimates for $^{32}$Mg and $^{219}$At shell-model Hamiltonians are comparable to recent estimates of Femoco simulations, a standard benchmark in chemistry. For no-core-shell-model Hamiltonians suitable for light nuclei (up to $^{40}$Ca or so), we find that resource requirements are significantly higher, suggesting that more bespoke strategies are required to make such simulations practicable. Throughout this work, we draw upon the similarities between nuclear and electronic structure problems, while also highlighting challenges that are specific to the former. We hope this work will spur long-term collaborations between the nuclear and quantum computing community with the ultimate goal of realizing useful nuclear simulations on quantum computers.

quant-pharXiv:2607.21563Jul 24, 20260 citations

Quantum computing description of strongly interacting atomic nuclei: challenges and opportunities

Denis Lacroix A

Nov 6, 20240 citations

Nuclear Physics for Quantum Computing

Joseph A. Formaggio

Bulletin of the American Physical SocietyOct 11, 20210 citations

Quantum computation with atomic ensembles

Tommaso Calarco

Bulletin of the American Physical SocietyMar 19, 20130 citations

Toward Nuclear Physics from Lattice QCD on Quantum Computers

Arata Yamamoto, Takumi Doi

Abstract One of the ultimate missions of lattice quantum chromodynamics (QCD) is to simulate atomic nuclei from the first principles of the strong interaction. This is an extremely hard task for current computational technology, but might be reachable in the coming quantum computing era. In this paper, we discuss the computational complexities of classical and quantum simulations of lattice QCD. It is shown that the quantum simulation scales better as a function of nucleon number and thus will outperform classical simulation for large nuclei.Abstract One of the ultimate missions of lattice quantum chromodynamics (QCD) is to simulate atomic nuclei from the first principles of the strong interaction. This is an extremely hard task for current computational technology, but might be reachable in the coming quantum computing era. In this paper, we discuss the computational complexities of classical and quantum simulations of lattice QCD. It is shown that the quantum simulation scales better as a function of nucleon number and thus will outperform classical simulation for large nuclei.

arXiv:2211.14550Progress of Theoretical and Experimental PhysicsFeb 5, 20246 citations

Quantum computing for nuclear physics: status and expectations

Natalie Kloco

Bulletin of the American Physical SocietyOct 27, 20180 citations

^{32}

Mg and

^{219}

At shell-model Hamiltonians are comparable to recent estimates of Femoco simulations, a standard benchmark in chemistry. For no-core-shell-model Hamiltonians suitable for light nuclei (up to

^{40}

Ca or so), we find that resource requirements are significantly higher, suggesting that more bespoke strategies are required to make such simulations practicable. Throughout this work, we draw upon the similarities between nuclear and electronic structure problems, while also highlighting challenges that are specific to the former. We hope this work will spur long-term collaborations between the nuclear and quantum computing community with the ultimate goal of realizing useful nuclear simulations on quantum computers.