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The Basics of Quantum Computing for Chemists
  • Daniel Claudino
Daniel Claudino
Oak Ridge National Laboratory

Corresponding Author:[email protected]

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The rapid and successful strides in quantum chemistry in the past decades can be largely credited to a conspicuous synergy between theoretical and computational advancements. However, the architectural computer archetype that enabled such a progress is approaching a state of more stagnant development. One of the most promising technological avenues for the continuing progress of quantum chemistry is the emerging quantum computing paradigm. This revolutionary proposal comes with several challenges, which span a wide array of disciplines. In chemistry, it implies, among other things, a need to reformulate some of its long established cornerstones in order to adjust to the operational demands and constraints of quantum computers. Due to its relatively recent emergence, much of quantum computing may still seem fairly nebulous and largely unknown to most chemists. It is in this context that here we review and illustrate the basic aspects of quantum information and their relation to quantum computing insofar as enabling simulations of quantum chemistry. We consider some of the most relevant developments in light of these aspects and discuss the current landscape when of relevance to quantum chemical simulations in quantum computers.
29 Mar 2022Submitted to International Journal of Quantum Chemistry
31 Mar 2022Submission Checks Completed
31 Mar 2022Assigned to Editor
31 Mar 2022Reviewer(s) Assigned
03 May 2022Review(s) Completed, Editorial Evaluation Pending
10 May 2022Editorial Decision: Revise Minor
14 Jun 20221st Revision Received
20 Jun 2022Submission Checks Completed
20 Jun 2022Assigned to Editor
20 Jun 2022Reviewer(s) Assigned
18 Jul 2022Review(s) Completed, Editorial Evaluation Pending
18 Jul 2022Editorial Decision: Accept
06 Aug 2022Published in International Journal of Quantum Chemistry. 10.1002/qua.26990