Quantum computational chemistry

With small quantum computers becoming a reality, first applications are eagerly sought. Quantum chemistry presents a spectrum of computational problems, from relatively easy to classically intractable. Algorithms for the easiest of these have been run on the first quantum computers. But an urgent question is, how well will these algorithms scale to go beyond what is possible classically? This review presents strategies employed to construct quantum algorithms for quantum chemistry, with the goal that quantum computers will eventually answer presently inaccessible questions, for example, in transition metal catalysis or important biochemical reactions.

• UD
  U.S. Department of Defense
• JS
  Japan Student Services Organization
• EA
  Engineering and Physical Sciences Research Council

  Awards: EP/M013243/1, EP/M013243/1