From transistor to trapped-ion computers for quantum chemistry


Autoria(s): Yung, M. H.; Casanova Marcos, Jorge; Mezzacapo, Antonio; McClean, J.; Lamata Manuel, Lucas; Aspuru Guzik, A.; Solano Villanueva, Enrique Leónidas
Data(s)

07/02/2014

07/02/2014

01/01/2014

Resumo

Over 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.

Identificador

Scientific Reports 4 : (2013) //Article N. 3589

2045-2322

http://hdl.handle.net/10810/11389

10.1038/srep03589

Idioma(s)

eng

Publicador

Nature Publishing Group

Relação

http://www.nature.com/srep/2014/140107/srep03589/full/srep03589.html

Direitos

This work is licensed under a Creative Commons Attribution 3.0 Unported License. To view a copy of this license, visit http://creativecommons.org/licenses/by/3.0/

info:eu-repo/semantics/openAccess

Palavras-Chave #coupled cluster theory #simulation #algorithm #mchanics #dynamics #systems
Tipo

info:eu-repo/semantics/article