Working Paper Review Version 1 This version is not peer-reviewed

Application of Quantum Computing to Biochemical Systems: A Look to the Future

Version 1 : Received: 19 August 2020 / Approved: 24 August 2020 / Online: 24 August 2020 (09:37:44 CEST)

How to cite: Cheng, H.; Deumens, E.; Freericks, J.; Li, C.; Sanders, B. Application of Quantum Computing to Biochemical Systems: A Look to the Future. Preprints 2020, 2020080517 Cheng, H.; Deumens, E.; Freericks, J.; Li, C.; Sanders, B. Application of Quantum Computing to Biochemical Systems: A Look to the Future. Preprints 2020, 2020080517

Abstract

Chemistry has been viewed as one of the most fruitful near-term applications to science of quantum computing. Recent work in transitioning classical algorithms to a quantum computer has led to great strides in improving quantum algorithms and illustrating their quantum advantage. Much less effort has been placed on how one finishes these calculations by using the results from the quantum computer (on the active region of the molecule) and embeds them back into the remainder of the molecule in order to determine the properties of the entire molecule. Such strategies are critical if one wants to expand the focus to biochemical molecules that contain active regions that cannot be properly explained with classical algorithms on classical computers. While we do not solve this problem here, we provide an overview of where the field is going to enable such problems to be tackled in the future.

Subject Areas

computational molecular biology, biochemistry, quantum computing, hybrid quantum-classical algorithms

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