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Quantum Information Processing

A quantum approach to the discretizable molecular distance geometry problem

  • 01-07-2022
Published in:
Authors
Carlile Lavor
Franklin Marquezino
Andrês Oliveira
Renato Portugal
Published in
Quantum Information Processing | Issue 7/2022

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Abstract

The article presents a novel approach to the Discretizable Molecular Distance Geometry Problem (DMDGP) using quantum computing. It begins by explaining the significance of determining the 3D structure of molecules, particularly proteins, and the limitations of classical methods like X-ray crystallography and Nuclear Magnetic Resonance (NMR). The DMDGP is introduced as a key problem in molecular structure determination, with a focus on its combinatorial approach. The main contribution of the paper is the application of Grover's algorithm to the DMDGP, including a detailed explanation of how to define the oracle function. The authors implement small instances of their algorithm on IBM Quantum computers, demonstrating the feasibility of the approach and discussing the challenges posed by noise in current quantum hardware. The paper concludes with a discussion of the potential of quantum computing in molecular structure determination and suggests future research directions, such as handling interval distances in NMR data.
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previous article Optomechanically induced tunable ideal nonreciprocity in optomechanical system with Coulomb interaction
next article Enhancing the precision of multi-parameter estimation for two-level open quantum system by mixed control
Title
A quantum approach to the discretizable molecular distance geometry problem
Authors
Carlile Lavor
Franklin Marquezino
Andrês Oliveira
Renato Portugal
Publication date
01-07-2022
Publisher
Springer US
Published in
Quantum Information Processing / Issue 7/2022
Print ISSN: 1570-0755
Electronic ISSN: 1573-1332
DOI
https://doi.org/10.1007/s11128-022-03583-w
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