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The harmonic approximation of ionic fluctuations and the linear coupling between phonons and electrons provide the standard framework to compute, from first principles, the contribution of nuclear dynamics and its interaction with electrons…
The molecular energies of chemical systems have been successfully calculated on quantum computers, however, more attention has been paid to the dynamic process of chemical reactions in practical application, especially in catalyst design,…
Trapped ions are among the leading candidates for quantum computing technologies. Interfacing ion qubits in separate traps and interfacing ion qubits with superconducting qubits are two of the many challenges to scale up quantum computers.…
Trapped ions are among the most promising systems for practical quantum computing (QC). The basic requirements for universal QC have all been demonstrated with ions and quantum algorithms using few-ion-qubit systems have been implemented.…
Quantum computers are rapidly becoming more capable, with dramatic increases in both qubit count and quality. Among different hardware approaches, trapped-ion quantum processors are a leading technology for quantum computing, with…
We present a comprehensive end-to-end framework for simulating the real-time dynamics of chemical systems on a fault-tolerant quantum computer, incorporating both electronic and nuclear quantum degrees of freedom. An all-particle simulation…
The well-known algorithm for quantum phase estimation requires that the considered unitary is available as a conditional transformation depending on the quantum state of an ancilla register. We present an algorithm converting an unknown…
The computation of excited electronic states is an important application for quantum computers. In this work, we simulate the excited state spectra of four aromatic heterocycles on IBM superconducting quantum computers, focusing on active…
Trapped ions are considered one of the best candidates to perform quantum information processing. By interacting them with laser beams they are, somehow, easy to manipulate, which makes them an excellent choice for the production of…
The resources required to characterise the dynamics of engineered quantum systems-such as quantum computers and quantum sensors-grow exponentially with system size. Here we adapt techniques from compressive sensing to exponentially reduce…
We briefly discuss recent experiments on quantum information processing using trapped ions at NIST. A central theme of this work has been to increase our capabilities in terms of quantum computing protocols, but we have also applied the…
We present a model for quantum computation using n steady 3-level atoms or 3-level quantum dots, kept inside a quantum electro-dynamics (QED) cavity. Our model allows one-qubit operations and the two-qubit controlled-NOT gate as required…
The manipulation of neutral atoms by light is at the heart of countless scientific discoveries in the field of quantum physics in the last three decades. The level of control that has been achieved at the single particle level within arrays…
Conical intersections are common in molecular physics and photochemistry, and are often invoked to explain observed reaction products. A conical intersection can occur when an excited electronic potential energy surface intersects with the…
Progress toward the realization of quantum computers requires persistent advances in their constituent building blocks - qubits. Novel qubit platforms that simultaneously embody long coherence, fast operation, and large scalability offer…
Trapped ions excited to high-lying electronic states combine strongly coupled collective vibrational and electronic degrees of freedom with long-ranged interparticle interactions. These ingredients enable the quantum simulation of…
We describe a scalable, high-speed, and robust architecture for measurement-based quantum-computing with trapped ions. Measurement-based architectures offer a way to speed-up operation of a quantum computer significantly by parallelizing…
We use random matrix models to investigate the ground state energy of electrons confined to a nanoparticle. Our expression for the energy includes the charging effect, the single-particle energies, and the residual screened interactions…
Quantum computers and simulators may offer significant advantages over their classical counterparts, providing insights into quantum many-body systems and possibly improving performance for solving exponentially hard problems, such as…
The electron pair approximation offers a resource efficient variational quantum eigensolver (VQE) approach for quantum chemistry simulations on quantum computers. With the number of entangling gates scaling quadratically with system size…