Extending NMR Quantum Computation Systems by Employing Compounds with Several Heavy Metals as Qubits
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F62690094%3A18450%2F22%3A50019151" target="_blank" >RIV/62690094:18450/22:50019151 - isvavai.cz</a>
Result on the web
<a href="https://www.mdpi.com/2312-7481/8/5/47" target="_blank" >https://www.mdpi.com/2312-7481/8/5/47</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.3390/magnetochemistry8050047" target="_blank" >10.3390/magnetochemistry8050047</a>
Alternative languages
Result language
angličtina
Original language name
Extending NMR Quantum Computation Systems by Employing Compounds with Several Heavy Metals as Qubits
Original language description
Nuclear magnetic resonance (NMR) is a spectroscopic method that can be applied to several areas. Currently, this technique is also being used as an experimental quantum simulator, where nuclear spins are employed as quantum bits or qubits. The present work is devoted to studying heavy metal complexes as possible candidates to act as qubit molecules. Nuclei such 113Cd, 199Hg, 125Te, and 77Se assembled with the most common employed nuclei in NMR-QIP implementations (1H, 13C, 19F, 29Si, and 31P) could potentially be used in heteronuclear systems for NMR-QIP implementations. Hence, aiming to contribute to the development of future scalable heteronuclear spin systems, we specially designed four complexes, based on the auspicious qubit systems proposed in our work (J. Phys. Chem. A 2020, 124, 4946–4955), which will be explored by quantum chemical calculations of their NMR parameters and proposed as suitable qubit molecules. Chemical shifts and spin–spin coupling constants in four complexes were examined using the spin–orbit zeroth-order regular approximation (ZORA) at the density functional theory (DFT) level, as well as the relaxation parameters (T1 and T2). Examining the required spectral properties of NMR-QIP, all the designed complexes were found to be promising candidates for qubit molecules. © 2022 by the authors. Licensee MDPI, Basel, Switzerland.
Czech name
—
Czech description
—
Classification
Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
—
OECD FORD branch
20506 - Coating and films
Result continuities
Project
—
Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace
Others
Publication year
2022
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Magnetochemistry
ISSN
2312-7481
e-ISSN
2312-7481
Volume of the periodical
8
Issue of the periodical within the volume
5
Country of publishing house
CH - SWITZERLAND
Number of pages
15
Pages from-to
"Article number: 47"
UT code for WoS article
000801474600001
EID of the result in the Scopus database
2-s2.0-85129508918