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Understanding complex chemical systems -- such as biomolecules, catalysts, and novel materials -- is a central goal of quantum simulations. Near-term strategies hinge on the use of variational quantum eigensolver (VQE) algorithms combined…

Quantum Physics · Physics 2023-08-02 Joshua Goings , Luning Zhao , Jacek Jakowski , Titus Morris , Raphael Pooser

We propose encoding multiple qubits inside ions in existing trapped-ion quantum computers to access more qubits and to simplify circuits implementing standard algorithms. By using such `virtual' qubits, some inter-ion gates can be replaced…

The prevalent approach to executing quantum algorithms on quantum computers is to break-down the algorithms to a concatenation of universal gates, typically single and two-qubit gates. However such a decomposition results in long gate…

Quantum Physics · Physics 2020-03-25 Yotam Shapira , Ravid Shaniv , Tom Manovitz , Nitzan Akerman , Lee Peleg , Lior Gazit , Roee Ozeri , Ady Stern

Recent studies to solve nuclear structure problems using quantum computers rely on a quantum algorithm known as Variational Quantum Eigensolver (VQE). In this study, we calculate the correlation energy in Helium-6 using VQE, with a…

Quantum Physics · Physics 2024-06-25 Ching-Hwa Wee , Meng-Hock Koh , Yung Szen Yap

Two-qubit gate performance is vital for scaling up ion-trap quantum computing. Optimized quantum control is needed to achieve reductions in gate-time and gate error-rate. We describe two-qubit gates with addressed Raman beams within a…

We present a large-scale experimental study of quantum-computing-based molecular simulation carried out on IQM's Sirius 24-qubit superconducting processor, utilizing up to 16 operational qubits. The work employs Sample-based Quantum…

This paper discusses ways to implement two-qubit gate operations for quantum computing with cold trapped ions within one step. The proposed scheme is widely robust against parameter fluctuations and its simplicity might help to increase the…

Quantum Physics · Physics 2009-11-10 Almut Beige

Quantum chemistry calculations of large, strongly correlated systems are typically limited by the computation cost that scales exponentially with the size of the system. Quantum algorithms, designed specifically for quantum computers, can…

The central challenge of quantum computing is implementing high-fidelity quantum gates at scale. However, many existing approaches to qubit control suffer from a scale-performance trade-off, impeding progress towards the creation of useful…

We study the performance of our previously proposed Projective Quantum Eigensolver (PQE) on IBM's quantum hardware in conjunction with error mitigation techniques. For a single qubit model of H$_2$, we find that we are able to obtain…

Quantum Physics · Physics 2023-10-10 Jonathon P. Misiewicz , Francesco A. Evangelista

To implement useful quantum algorithms which demonstrate quantum advantage, we must scale currently demonstrated quantum computers up significantly. Leading platforms such as trapped ions face physical challenges in including more…

Quantum Physics · Physics 2023-06-07 Pei Jiang Low , Brendan White , Crystal Senko

Unitary coupled cluster (UCC), originally developed as a variational alternative to the popular traditional coupled cluster method, has seen a resurgence as a functional form for use on quantum computers. However, the number of excitors…

Chemical Physics · Physics 2021-01-07 Maria-Andreea Filip , Alex J. W. Thom

Quantum computers hold immense potential in the field of chemistry, ushering new frontiers to solve complex many body problems that are beyond the reach of classical computers. However, noise in the current quantum hardware limits their…

Quantum Physics · Physics 2024-03-20 Chayan Patra , Sonaldeep Halder , Rahul Maitra

Quantum processing units boost entanglement at the level of hardware and enable physical simulations of highly correlated electron states in molecules and intermolecular chemical bonds. The variational quantum eigensolver provides a…

We consider the implementation of quantum logic gates in trapped ions using tightly focused optical tweezers. Strong polarization gradients near the tweezer focus lead to qubit-state dependent forces on the ion. We show that these may be…

Quantum Physics · Physics 2023-01-13 M. Mazzanti , R. Gerritsma , R. J. C. Spreeuw , A. Safavi-Naini

Emergent quantum computing technologies are widely expected to provide novel approaches in the simulation of quantum chemistry. Despite rapid improvements in the scale and fidelity of quantum computers, high resource requirements make the…

Quantum Physics · Physics 2025-06-23 Andrew Tranter , Duncan Gowland , Kentaro Yamamoto , Michelle Sze , David Muñoz Ramo

Unitary Coupled Cluster (UCC) approaches are an appealing route to utilising quantum hardware to perform quantum chemistry calculations, as quantum computers can in principle perform UCC calculations in a polynomially scaling fashion, as…

Quantum Physics · Physics 2022-06-15 Maria-Andreea Filip , Nathan Fitzpatrick , David Muñoz Ramo , Alex J. W. Thom

Quantum computers can be used to address molecular structure, materials science and condensed matter physics problems, which currently stretch the limits of existing high-performance computing resources. Finding exact numerical solutions to…

This is the second paper in a series of papers providing an overview of different quantum computing hardware platforms from an industrial end-user perspective. It follows our first paper on neutral-atom quantum computing. In the present…

The practical application of quantum technologies to chemical problems faces significant challenges, particularly in the treatment of realistic basis sets and the accurate inclusion of electron correlation effects. A direct approach to…