Quantum Computing for Quantum Chemistry

Abstract

This three-year project consisted on the development and application of quantum computer algorithms for chemical applications. In particular, we developed algorithms for chemical reaction dynamics, electronic structure and protein folding. The first quantum computing for chemistry experiment was also realized. With the goal of simulating energy transfer in photosynthetic complexes, we developed the theory of quantum stochastic walks, and collaborated with experimentalists in its implementation. The project provided a suite of quantum algorithms and early demonstrations that show clearly that quantum computing would have a considerable impact in the area of theoretical chemistry.

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Document Details

Document Type
Technical Report
Publication Date
Sep 01, 2010
Accession Number
ADA534093

Entities

People

  • Alán Aspuru-Guzik

Organizations

  • Harvard University

Tags

Communities of Interest

  • Energy and Power Technologies
  • Materials and Manufacturing Processes

DTIC Thesaurus Topics

  • Algorithms
  • Chemical Kinetics
  • Chemical Reactions
  • Chemistry
  • Computations
  • Energy Transfer
  • Engineering
  • Environment
  • Geometry
  • Molecular Physics
  • Quantum Algorithms
  • Quantum Chemistry
  • Quantum Computers
  • Quantum Computing
  • Quantum Information
  • Simulations
  • Students

Readers

  • Computational Fluid Dynamics (CFD)
  • Quantum Chemistry
  • Quantum Dot Semiconductor Device Photonics and Graphene Optoelectronic Materials and THz Physics.

Technology Areas

  • Microelectronics
  • Quantum Computing