Simulating chemistry using quantum computers.

By Ivan Kassal, James D. Whitfield, Alejandro Perdomo-Ortiz, Man-Hong Yung, Alán Aspuru-Guzik. Annual review of physical chemistry (Print), 2010

334 citations recorded by the source corpus.

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.

Subfields: Artificial Intelligence, Atomic and Molecular Physics, and Optics

View Paper: https://www.semanticscholar.org/paper/ba3ec489b5dfddb57e654305bebc2934b9eaabe5

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Citations in the corpus

Low-Depth Quantum Simulation of Materials (2017, methodology): “Finally, we note that while prior work has leveraged the diagonality of momentum and potential operators in real space, our use of second quantization allows us to use dramatically fewer qubits and also avoids the challenge of antisymmetrizing the initial state, which complicates firstquantized meth”
Quantum Chemistry Calculations on a Trapped-Ion Quantum Simulator (2018, background): “[66] Ivan Kassal, James D Whitfield, Alejandro PerdomoOrtiz, Man-Hong Yung, and Alán Aspuru-Guzik, “Simulating chemistry using quantum computers.”
Efficient Variational Quantum Simulator Incorporating Active Error Minimization (2016, background): “Such a technology would be highly advantageous for the investigation of various large quantum systems, e.g. simulating quantum chemistry systems [20–23], or novel materials and other condensed-matter systems [24–26].”
Quantum Simulation (2013, background): “…Jaksch and Zoller, 2005; Lewenstein et al., 2007), ions (Blatt and Roos, 2012; Schneider et al., 2012), photons (Aspuru-Guzik and Walther, 2012), superconducting circuits (Houck et al., 2012) and quantum chemistry (Kassal et al., 2011; Lu et al., 2012), a global review of the field is missing.”
Quantum walks: a comprehensive review (2012, background): “The simulation of complex physical systems and mathematical problems for which we know no classical digital computer algorithm that could efficiently simulate them [155,225,360,224,226,412].”
Engineered Open Systems and Quantum Simulations with Atoms and Ions (2012, background): “Many-body spin interactions of this kind are an important ingredient in the simulation of systems with strict symmetry requirements (Kassal et al., 2011).”
Elucidating reaction mechanisms on quantum computers (2016, neutral): “[10] Ivan Kassal, James D Whitfield, Alejandro PerdomoOrtiz, Man-Hong Yung, and Alán Aspuru-Guzik, “Simulating chemistry using quantum computers,” Annual Review of Physical Chemistry 62, 185–207 (2011).”