Related papers: Fast-forwarding molecular ground state preparation…
This article shows a proof of concept regarding the feasibility of ab initio molecular simulation, wherein the wavefunctions and the positions of nuclei are simultaneously determined by the quantum algorithm, as is realized by the so-called…
Hybrid quantum-classical optimization algorithms represent one of the most promising application for near-term quantum computers. In these algorithms the goal is to optimize an observable quantity with respect to some classical parameters,…
First quantized, grid-based methods for chemistry modelling are a natural and elegant fit for quantum computers. However, it is infeasible to use today's quantum prototypes to explore the power of this approach, because it requires a…
Recently double-bracket quantum algorithms have been proposed as a way to compile circuits for approximating eigenstates. Physically, they consist of appropriately composing evolutions under an input Hamiltonian together with diagonal…
The fast and faithful preparation of the ground state of quantum systems is a challenging task but crucial for several applications in the realm of quantum-based technologies. Decoherence poses a limit to the maximum time-window allowed to…
We develop an optimal control algorithm for robust quantum gate preparation in open environments with the state of the quantum system represented using the Lindblad master equation. The algorithm is based on adaptive linearization and…
We propose a methodology to design optimal pulses for achieving quantum optimal control on molecular systems. Our approach constrains pulse shapes to linear combinations of a fixed number of experimentally relevant pulse functions. Quantum…
A critical engineering challenge in quantum technology is the accurate control of quantum dynamics. Model-based methods for optimal control have been shown to be highly effective when theory and experiment closely match. Consequently,…
Understanding and controlling engineered quantum systems is key to developing practical quantum technology. However, given the current technological limitations, such as fabrication imperfections and environmental noise, this is not always…
Imaginary-time evolution is fundamental for analyzing quantum many-body systems, yet classical simulation requires exponentially growing resources in both system size and evolution time. While quantum approaches reduce the system-size…
We provide an efficient and general route for preparing non-trivial quantum states that are not adiabatically connected to unentangled product states. Our approach is a hybrid quantum-classical variational protocol that incorporates a…
Molecular simulations are widely regarded as leading candidates to demonstrate quantum advantage--defined as the point at which quantum methods surpass classical approaches in either accuracy or scale. Yet the qubit counts and error rates…
The advent of hybrid computing platforms consisting of quantum processing units integrated with conventional high-performance computing brings new opportunities for algorithm design. By strategically offloading select portions of the…
Quantum simulation is widely regarded as one of the most promising routes to genuine quantum advantage, yet most existing approaches to quantum chemistry are formulated in terms of closed-system, unitary dynamics and ground-state…
Accurate and efficient prediction of electronic wavefunctions is central to ab initio molecular dynamics (AIMD) and electronic structure theory. However, conventional ab initio methods require self-consistent optimization of electronic…
Quantum annealing is a generic name of quantum algorithms to use quantum-mechanical fluctuations to search for the solution of optimization problem. It shares the basic idea with quantum adiabatic evolution studied actively in quantum…
Long-range interactions are the source of many equilibrium and out-of-equilibrium quantum many-body phenomena. Analog simulators based on ionic, atomic, superconducting, and molecular systems provide a natural platform to obtain these…
We show how a digitized version of Quantum Annealing can be made optimal, realizing the best possible solution allowed by quantum mechanics in the shortest time, without any prior knowledge on the location and properties of the spectral…
Spectroscopy is one of the most accurate probes of the molecular world. However, predicting molecular spectra accurately is computationally difficult because of the presence of entanglement between electronic and nuclear degrees of freedom.…
We present a quantum algorithm for the simulation of molecular systems that is asymptotically more efficient than all previous algorithms in the literature in terms of the main problem parameters. As in previous work [Babbush et al., New…