Simulating Chemistry on Quantum Computers: From atoms to algorithms – a holistic review: Quantum Engineering CDT (Advanced Quantum Information Theory Essay)

Sam Morley-Short

Research output: Other contribution

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Abstract

The aim of this essay is to provide a holistic overview of the field of quantum chemistry simulation. Given the diverse nature of the subject it is often hard to find literature which gives a full perspective of the field’s many facets. Therefore this paper attempts to give a technical overview of the many areas needed to understand the full challenge presented by quantum chemical situations.
To achieve this Section 2 begins by asking the question of why we want to simulate quantum chemistry, and is it feasible to do so? Section 3 gives a brief overview of the two simulation techniques available: analogue and digital quantum simulation. Having discussed the abstract concept of quantum simulation, Section 4 begins the technical material by discussing the two main chemical systems we typically desire to simulate and gives their characteristic Hamiltonians. With chemical Hamiltonians in hand Section 5 explains the different qubit mappings we can apply to simulate the systems on our quantum computer. Section 6 concludes the technical material by considering the more practical implications of the aforementioned simulation methods with respect to scaling and resource estimation. Lastly, Section 7 finishes by making some final concluding remarks and gives an outlook for the future quantum chemistry simulation research efforts.
Original languageEnglish
TypeAdv. Quantum Information Theory Essay
Media of outputPersonal dissemination
Number of pages18
Publication statusUnpublished - 10 Apr 2015

Keywords

  • Quantum chemistry
  • Quantum Simulation
  • Quantum Computation

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