Quantum Simulation of Helium Hydride Cation in a Solid-State Spin Register

Autor(en)

Ya Wang, Florian Dolde, Jacob Biamonte, Ryan Babbush, Ville Bergholm, Sen Yang, Ingmar Jakobi, Philipp Neumann, Alan Aspuru-Guzik, James D. Whitfield, Joerg Wrachtrup

Abstrakt

Ab initio computation of molecular properties is one of the most promising applications of quantum computing. While this problem is widely believed to be intractable for classical computers, efficient quantum algorithms exist which have the potential to vastly accelerate research throughput in fields ranging from material science to drug discovery. Using a solid-state quantum register realized in a nitrogen-vacancy (NV) defect in diamond, we compute the bond dissociation curve of the minimal basis helium hydride cation, HeH⁺. Moreover, we report an energy uncertainty (given our model basis) of the order of 10^-14 hartree, which is 10 orders of magnitude below the desired chemical precision. As NV centers in diamond provide a robust and straightforward platform for quantum information processing, our work provides an important step toward a fully scalable solid-state implementation of a quantum chemistry simulator. (Figure Presented).

Organisation(en)

Quantenoptik, Quantennanophysik und Quanteninformation

Externe Organisation(en)

Universität Stuttgart, Istituto per l'Interscambio Scientifico, Google, Harvard University

Journal

ACS Nano

Band

9

Seiten

7769-7774

Anzahl der Seiten

6

ISSN

1936-0851

DOI

https://doi.org/10.1021/acsnano.5b01651

Publikationsdatum

08-2015

Peer-reviewed

Ja

ÖFOS 2012

103036 Theoretische Physik

Schlagwörter

ASJC Scopus Sachgebiete

Allgemeiner Maschinenbau, Allgemeine Physik und Astronomie, Allgemeine Materialwissenschaften

Link zum Portal

https://ucrisportal.univie.ac.at/de/publications/c4b0a6f1-ee8d-448a-a64b-542d8af5e061