Author(s)Yung, M. H.
Casanova Marcos, Jorge
Lamata Manuel, Lucas
Aspuru Guzik, A.
Solano Villanueva, Enrique Leónidas
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AbstractOver the last few decades, quantum chemistry has progressed through the development of computational methods based on modern digital computers. However, these methods can hardly fulfill the exponentially-growing resource requirements when applied to large quantum systems. As pointed out by Feynman, this restriction is intrinsic to all computational models based on classical physics. Recently, the rapid advancement of trapped-ion technologies has opened new possibilities for quantum control and quantum simulations. Here, we present an efficient toolkit that exploits both the internal and motional degrees of freedom of trapped ions for solving problems in quantum chemistry, including molecular electronic structure, molecular dynamics, and vibronic coupling. We focus on applications that go beyond the capacity of classical computers, but may be realizable on state-of-the-art trapped-ion systems. These results allow us to envision a new paradigm of quantum chemistry that shifts from the current transistor to a near-future trapped-ion-based technology.
The authors acknowledge funding from Basque Government IT472-10 Grant, Spanish MINECO FIS2012-36673-C03-02, Ramon Cajal Grant RYC-2012-11391, UPV/EHU UFI 11/55, SOLID, CCQED, PROMISCE and SCALEQIT European projects. M.-H. Y. and A.-A.-G. acknowledge support from the Defense Threat Reduction Agency under grant HDTRA1-10-1-0046-DOD35CAP as well as the National Science Foundation under grant 1037992-CHE, Sponsored by United States Department of Defense. M.-H. Y. also acknowledges the funding from the National Basic Research Program of China Grant 2011CBA00300, 2011CBA00301, and the National Natural Science Foundation of China Grant 61033001, 61061130540. A. A.-G. also acknowledges support from the Air Force Office of Scientific Research under award FA9550-12-1-0046. J. M. is supported by the DOE Computational Science Graduate Fellowship under grant number DE-FG02-97ER25308.
Scientific Reports 4 : (2013) //Article N. 3589