Molecular dynamics simulations are a central computational methodology in materials design for relating atomic composition to mechanical properties. However, simulating materials with atomic-level resolution on a macroscopic scale is infeasible on current classical hardware, even when using the simplest elastic network models (ENMs) that represent molecular vibrations as a network of coupled oscillators. To address this issue, we introduce Quantum Elastic Network Models (QENMs) and utilize the quantum algorithm of Babbush et al. (PRX, 2023), which offers an exponential advantage when simulating systems of coupled oscillators. Here, we extend their algorithm in 2D systems and demonstrate how our method enables the efficient simulation of planar materials. As an example, we apply our algorithm to the task of simulating a 2D graphene sheet. We analyze the complexity for initial-state preparation, Hamiltonian simulation, and measurement of this material, and provide two real-world applications: heat transfer and the out-of-plane rippling effect. We estimate that an atomistic simulation of a graphene sheet on the centimeter scale, classically requiring hundreds of petabytes of memory and prohibitive runtimes, could be encoded and simulated with as few as $\sim 160$ logical qubits.Molecular dynamics simulations are a central computational methodology in materials design for relating atomic composition to mechanical properties. However, simulating materials with atomic-level resolution on a macroscopic scale is infeasible on current classical hardware, even when using the simplest elastic network models (ENMs) that represent molecular vibrations as a network of coupled oscillators. To address this issue, we introduce Quantum Elastic Network Models (QENMs) and utilize the quantum algorithm of Babbush et al. (PRX, 2023), which offers an exponential advantage when simulating systems of coupled oscillators. Here, we extend their algorithm in 2D systems and demonstrate how our method enables the efficient simulation of planar materials. As an example, we apply our algorithm to the task of simulating a 2D graphene sheet. We analyze the complexity for initial-state preparation, Hamiltonian simulation, and measurement of this material, and provide two real-world applications: heat transfer and the out-of-plane rippling effect. We estimate that an atomistic simulation of a graphene sheet on the centimeter scale, classically requiring hundreds of petabytes of memory and prohibitive runtimes, could be encoded and simulated with as few as $\sim 160$ logical qubits.

quant-pharXiv:2601.05161Jan 9, 20260 citations

Classical behavior of systems of quantum oscillators

Roy J. Glauber

Physics LettersJul 1, 1966125 citations

Double Fano resonances in a composite metamaterial possessing tripod plasmonic resonances

Yeon Ui Lee, E. Y. Choi, E. S. Kim +7 more

Double Fano resonances are observed in a planar composite metamaterial possessing tripod plasmonic resonances, where a common subradiant driven oscillator is coupled with two superradiant oscillators. As a classical analogue of four-level tripod atomic system, the extinction spectrum of the composite metamaterial exhibits a coherent effect based on double Fano resonances. It is shown that a transfer of the absorbed power between two orthogonal superradiant oscillators is mediated by a common subradiant oscillator.Double Fano resonances are observed in a planar composite metamaterial possessing tripod plasmonic resonances, where a common subradiant driven oscillator is coupled with two superradiant oscillators. As a classical analogue of four-level tripod atomic system, the extinction spectrum of the composite metamaterial exhibits a coherent effect based on double Fano resonances. It is shown that a transfer of the absorbed power between two orthogonal superradiant oscillators is mediated by a common subradiant oscillator.

International Congress on Advanced Electromagnetic Materials in Microwaves and OpticsSep 1, 20150 citations

Systems of Quantum Oscillators

Carlo Heissenberg, Augusto Sagnotti

Cambridge University Press eBooksJan 6, 20220 citations

Existence, structure, and properties of quantum-like states

Gregory D. Scholes

The main purpose of thispaper is to show that composite quantum-like (QL) systems can closely mimic the separable states of quantum systems, and that suitable physical systems exhibiting these states exist. It is shown that QL graphs can closely emulate states of composite quantum systems, such as coupled two-level systems that display separable linear combinations of states. Examples of classical systems are suggested that show these states. These include multipole moments of waves or networks of phase oscillators. The work indicates that composite QL states can be manifest in complex network structures relevant to quantum biology or engineered into circuits, or even possibly soft matter.The main purpose of thispaper is to show that composite quantum-like (QL) systems can closely mimic the separable states of quantum systems, and that suitable physical systems exhibiting these states exist. It is shown that QL graphs can closely emulate states of composite quantum systems, such as coupled two-level systems that display separable linear combinations of states. Examples of classical systems are suggested that show these states. These include multipole moments of waves or networks of phase oscillators. The work indicates that composite QL states can be manifest in complex network structures relevant to quantum biology or engineered into circuits, or even possibly soft matter.

quant-pharXiv:2603.20539Proceedings of the Royal Society A Mathematical Physical and Engineering SciencesMar 24, 20261 citation

\sim 160

logical qubits.