Quantum computation of stopping power for inertial fusion target design

Rubin, Nicholas C.; Berry, Dominic W.; Kononov, Alina; Malone, Fionn D.; Khattar, Tanuj; White, Alec; Lee, Joonho; Neven, Hartmut; Babbush, Ryan; Baczewski, Andrew D.

doi:10.1073/pnas.2317772121

Title: Quantum computation of stopping power for inertial fusion target design

Journal Article · 30 May 2024 · Proceedings of the National Academy of Sciences of the United States of America

DOI: https://doi.org/10.1073/pnas.2317772121 · OSTI ID:2368973

Rubin, Nicholas C. ^[1]; Berry, Dominic W. ^[2]; Kononov, Alina ^[3]; Malone, Fionn D. ^[1]; Khattar, Tanuj ^[1]; White, Alec ^[4]; Lee, Joonho ^[5]; Neven, Hartmut ^[1];

^[1];

^[3]

Google Quantum AI, Google Research, Venice, CA 90291
School of Mathematical and Physical Sciences, Macquarie University, Sydney, NSW 2109, Australia
Quantum Algorithms and Applications Collaboratory, Sandia National Laboratories, Albuquerque, NM 87185
Quantum Simulation Technologies Inc., Boston, MA 02135
Google Quantum AI, Google Research, Venice, CA 90291, Department of Chemistry and Chemical Biology, Harvard University, Cambridge, MA 02138

Stopping power is the rate at which a material absorbs the kinetic energy of a charged particle passing through it—one of many properties needed over a wide range of thermodynamic conditions in modeling inertial fusion implosions. First-principles stopping calculations are classically challenging because they involve the dynamics of large electronic systems far from equilibrium, with accuracies that are particularly difficult to constrain and assess in the warm-dense conditions preceding ignition. Here, we describe a protocol for using a fault-tolerant quantum computer to calculate stopping power from a first-quantized representation of the electrons and projectile. Our approach builds upon the electronic structure block encodings of Su et al. [ PRX Quant. 2 , 040332 (2021)], adapting and optimizing those algorithms to estimate observables of interest from the non-Born–Oppenheimer dynamics of multiple particle species at finite temperature. We also work out the constant factors associated with an implementation of a high-order Trotter approach to simulating a grid representation of these systems. Ultimately, we report logical qubit requirements and leading-order Toffoli costs for computing the stopping power of various projectile/target combinations relevant to interpreting and designing inertial fusion experiments. We estimate that scientifically interesting and classically intractable stopping power calculations can be quantum simulated with roughly the same number of logical qubits and about one hundred times more Toffoli gates than is required for state-of-the-art quantum simulations of industrially relevant molecules such as FeMoco or P450.

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Sponsoring Organization:: USDOE

OSTI ID:: 2368973

Alternate ID(s):: OSTI ID: 2469919

Journal Information:: Proceedings of the National Academy of Sciences of the United States of America, Journal Name: Proceedings of the National Academy of Sciences of the United States of America Journal Issue: 23 Vol. 121; ISSN 0027-8424

Publisher:: Proceedings of the National Academy of SciencesCopyright Statement

Country of Publication:: United States

Language:: English

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