Publications [#376937] of David N. Beratan

Journal Articles

1. Kang, M; Nuomin, H; Chowdhury, SN; Yuly, JL; Sun, K; Whitlow, J; Valdiviezo, J; Zhang, Z; Zhang, P; Beratan, DN; Brown, KR, Seeking a quantum advantage with trapped-ion quantum simulations of condensed-phase chemical dynamics., Nature reviews. Chemistry, vol. 8 no. 5 (May, 2024), pp. 340-358 [doi]
   (last updated on 2026/01/13)

   Abstract:
   Simulating the quantum dynamics of molecules in the condensed phase represents a longstanding challenge in chemistry. Trapped-ion quantum systems may serve as a platform for the analog-quantum simulation of chemical dynamics that is beyond the reach of current classical-digital simulation. To identify a 'quantum advantage' for these simulations, performance analysis of both analog-quantum simulation on noisy hardware and classical-digital algorithms is needed. In this Review, we make a comparison between a noisy analog trapped-ion simulator and a few choice classical-digital methods on simulating the dynamics of a model molecular Hamiltonian with linear vibronic coupling. We describe several simple Hamiltonians that are commonly used to model molecular systems, which can be simulated with existing or emerging trapped-ion hardware. These Hamiltonians may serve as stepping stones towards the use of trapped-ion simulators for systems beyond the reach of classical-digital methods. Finally, we identify dynamical regimes in which classical-digital simulations seem to have the weakest performance with respect to analog-quantum simulations. These regimes may provide the lowest hanging fruit to make the most of potential quantum advantages.