From transistor to trapped-ion computers for quantum chemistry

TL;DR

This paper explores how trapped-ion quantum computers can revolutionize quantum chemistry by efficiently handling complex molecular problems beyond classical computational limits.

Contribution

It introduces a toolkit leveraging trapped-ion systems for advanced quantum chemistry applications, surpassing classical computational capabilities.

Findings

Demonstrates potential of trapped-ion systems for molecular electronic structure calculations

Shows feasibility of simulating molecular dynamics and vibronic couplings

Envisions a shift from classical to trapped-ion quantum chemistry technologies

Abstract

Over the last few decades, quantum chemistry has progressed through the development of computational methods based on modern digital computers. However, these methods can hardly fulfill the exponentially-growing resource requirements when applied to large quantum systems. As pointed out by Feynman, this restriction is intrinsic to all computational models based on classical physics. Recently, the rapid advancement of trapped-ion technologies has opened new possibilities for quantum control and quantum simulations. Here, we present an efficient toolkit that exploits both the internal and motional degrees of freedom of trapped ions for solving problems in quantum chemistry, including molecular electronic structure, molecular dynamics, and vibronic coupling. We focus on applications that go beyond the capacity of classical computers, but may be realizable on state-of-the-art trapped-ion systems. These results allow us to envision a new paradigm of quantum chemistry that shifts from the current transistor to a near-future trapped-ion-based technology.