Exploiting locality in quantum computation for quantum chemistry
TL;DR: In this article, the authors bring together known results about the locality of physical interactions from quantum chemistry with ideas from quantum computation and show that the utilization of spatial locality combined with the Bravyi-Kitaev transformation offers an improvement in the scaling of known quantum algorithms for quantum chemistry.
read more
Abstract: Accurate prediction of chemical and material properties from first principles quantum chemistry is a challenging task on traditional computers Recent developments in quantum computation offer a route towards highly accurate solutions with polynomial cost, however this solution still carries a large overhead In this perspective, we aim to bring together known results about the locality of physical interactions from quantum chemistry with ideas from quantum computation We show that the utilization of spatial locality combined with the Bravyi-Kitaev transformation offers an improvement in the scaling of known quantum algorithms for quantum chemistry and provide numerical examples to help illustrate this point We combine these developments to improve the outlook for the future of quantum chemistry on quantum computers
read more
Chat with Paper
AI Agents for this Paper
Find similar papers on Google Scholar, PubMed and Arxiv
Write a critical review of this paper
Analyze citations of this paper to find unaddressed research gaps
Citations
The theory of variational hybrid quantum-classical algorithms
TL;DR: Peruzzo et al. as mentioned in this paper developed a variational adiabatic ansatz and explored unitary coupled cluster where they established a connection from second order unitary cluster to universal gate sets through a relaxation of exponential operator splitting.
Quantum computational chemistry
TL;DR: This review presents strategies employed to construct quantum algorithms for quantum chemistry, with the goal that quantum computers will eventually answer presently inaccessible questions, for example, in transition metal catalysis or important biochemical reactions.
1.5K
Quantum Chemistry in the Age of Quantum Computing.
Yudong Cao,Jonathan Romero,Jonathan P. Olson,Matthias Degroote,Matthias Degroote,Peter D. Johnson,Mária Kieferová,Mária Kieferová,Ian D. Kivlichan,Tim Menke,Tim Menke,Borja Peropadre,Nicolas P. D. Sawaya,Sukin Sim,Libor Veis,Alán Aspuru-Guzik +15 more
TL;DR: This Review provides an overview of the algorithms and results that are relevant for quantum chemistry and aims to help quantum chemists who seek to learn more about quantum computing and quantum computing researchers who would like to explore applications in quantum chemistry.
1.5K
Scalable Quantum Simulation of Molecular Energies
Peter O'Malley,Ryan Babbush,Ian D. Kivlichan,Jonathan Romero,Jarrod R. McClean,Rami Barends,Julian Kelly,Pedram Roushan,Andrew Tranter,Andrew Tranter,Nan Ding,Brooks Campbell,Yu Chen,Zijun Chen,Ben Chiaro,Andrew Dunsworth,Austin G. Fowler,Evan Jeffrey,Anthony Megrant,Josh Mutus,Charles Neil,Chris Quintana,Daniel Sank,Ted White,James Wenner,Amit Vainsencher,Peter V. Coveney,Peter J. Love,Hartmut Neven,Alán Aspuru-Guzik,John M. Martinis,John M. Martinis +31 more
TL;DR: In this paper, the first electronic structure calculation performed on a quantum computer without exponentially costly precompilation is reported, where a programmable array of superconducting qubits is used to compute the energy surface of molecular hydrogen using two distinct quantum algorithms.
1.1K
Quantum information processing with superconducting circuits: a review
TL;DR: The time is ripe for describing some of the recent development of superconducting devices, systems and applications as well as practical applications of QIP, such as computation and simulation in Physics and Chemistry.
1K
References
Unified Approach for Molecular Dynamics and Density-Functional Theory
Roberto Car,Michele Parrinello +1 more
TL;DR: In this article, a unified scheme combining molecular dynamics and density-functional theory is presented, which makes possible the simulation of both covalently bonded and metallic systems and permits the application of density functional theory to much larger systems than previously feasible.
10.5K
Algorithms for quantum computation: discrete logarithms and factoring
Peter W. Shor
- 20 Nov 1994
TL;DR: Las Vegas algorithms for finding discrete logarithms and factoring integers on a quantum computer that take a number of steps which is polynomial in the input size, e.g., the number of digits of the integer to be factored are given.
9.1K
Simulating physics with computers
TL;DR: In this paper, the authors describe the possibility of simulating physics in the classical approximation, a thing which is usually described by local differential equations, and the possibility that there is to be an exact simulation, that the computer will do exactly the same as nature.
A variational eigenvalue solver on a photonic quantum processor
Alberto Peruzzo,Jarrod R. McClean,Peter Shadbolt,Man-Hong Yung,Xiao-Qi Zhou,Peter J. Love,Alán Aspuru-Guzik,Jeremy L. O'Brien +7 more
TL;DR: The proposed approach drastically reduces the coherence time requirements and combines this method with a new approach to state preparation based on ansätze and classical optimization, enhancing the potential of quantum resources available today and in the near future.