Simulating chemistry using quantum computers

The difficulty of simulating quantum systems, well-known to quantum chemists, prompted the idea of quantum computation. One can avoid the steep scaling associated with the exact simulation of increasingly large quantum systems on conventional computers, by mapping the quantum system to another, more controllable one. In this review, we discuss to what extent the ideas in quantum computation, now a well-established field, have been applied to chemical problems. We describe algorithms that achieve significant advantages for the electronic-structure problem, the simulation of chemical dynamics, protein folding, and other tasks. Although theory is still ahead of experiment, we outline recent advances that have led to the first chemical calculations on small quantum information processors.Comment: 27 pages. Submitted to Ann. Rev. Phys. Che

Using Quantum Computers for Quantum Simulation

Numerical simulation of quantum systems is crucial to further our understanding of natural phenomena. Many systems of key interest and importance, in areas such as superconducting materials and quantum chemistry, are thought to be described by models which we cannot solve with sufficient accuracy, neither analytically nor numerically with classical computers. Using a quantum computer to simulate such quantum systems has been viewed as a key application of quantum computation from the very beginning of the field in the 1980s. Moreover, useful results beyond the reach of classical computation are expected to be accessible with fewer than a hundred qubits, making quantum simulation potentially one of the earliest practical applications of quantum computers. In this paper we survey the theoretical and experimental development of quantum simulation using quantum computers, from the first ideas to the intense research efforts currently underway.Comment: 43 pages, 136 references, review article, v2 major revisions in response to referee comments, v3 significant revisions, identical to published version apart from format, ArXiv version has table of contents and references in alphabetical orde