DOE PAGES title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: On the design of molecular excitonic circuits for quantum computing: the universal quantum gates

Abstract

This manuscript presents a strategy for controlling the transformation of excitonic states through the design of circuits made up of coupled organic dye molecules. Specifically, we show how unitary transformation matrices can be mapped to the Hamiltonians of physical systems of dye molecules with specified geometric and chemical properties. The evolution of these systems over specific time scales encodes the action of the unitary transformation. We identify bounds on the complexity of the transformations that can be represented by these circuits and on the optoelectronic properties of the dye molecules that comprise them. We formalize this strategy and apply it to determine the excitonic circuits of the four universal quantum logic gates: NOT, Hadamard, π/8 and CNOT. Finally, we discuss the properties of these circuits and how their performance is expected to be influenced by the presence of environmental noise.

Authors:
ORCiD logo [1]; ORCiD logo [1]; ORCiD logo [1]
  1. Department of Chemistry, Massachusetts Institute of Technology, Cambridge, USA
Publication Date:
Research Org.:
Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States)
Sponsoring Org.:
USDOE; National Science Foundation (NSF)
OSTI Identifier:
1592791
Alternate Identifier(s):
OSTI ID: 1803896
Grant/Contract Number:  
SC0019998; CHE-1839155
Resource Type:
Published Article
Journal Name:
Physical Chemistry Chemical Physics. PCCP (Print)
Additional Journal Information:
Journal Name: Physical Chemistry Chemical Physics. PCCP (Print) Journal Volume: 22 Journal Issue: 5; Journal ID: ISSN 1463-9076
Publisher:
Royal Society of Chemistry (RSC)
Country of Publication:
United Kingdom
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; Chemistry; Physics

Citation Formats

Castellanos, Maria A., Dodin, Amro, and Willard, Adam P. On the design of molecular excitonic circuits for quantum computing: the universal quantum gates. United Kingdom: N. p., 2020. Web. doi:10.1039/C9CP05625D.
Castellanos, Maria A., Dodin, Amro, & Willard, Adam P. On the design of molecular excitonic circuits for quantum computing: the universal quantum gates. United Kingdom. https://doi.org/10.1039/C9CP05625D
Castellanos, Maria A., Dodin, Amro, and Willard, Adam P. Wed . "On the design of molecular excitonic circuits for quantum computing: the universal quantum gates". United Kingdom. https://doi.org/10.1039/C9CP05625D.
@article{osti_1592791,
title = {On the design of molecular excitonic circuits for quantum computing: the universal quantum gates},
author = {Castellanos, Maria A. and Dodin, Amro and Willard, Adam P.},
abstractNote = {This manuscript presents a strategy for controlling the transformation of excitonic states through the design of circuits made up of coupled organic dye molecules. Specifically, we show how unitary transformation matrices can be mapped to the Hamiltonians of physical systems of dye molecules with specified geometric and chemical properties. The evolution of these systems over specific time scales encodes the action of the unitary transformation. We identify bounds on the complexity of the transformations that can be represented by these circuits and on the optoelectronic properties of the dye molecules that comprise them. We formalize this strategy and apply it to determine the excitonic circuits of the four universal quantum logic gates: NOT, Hadamard, π/8 and CNOT. Finally, we discuss the properties of these circuits and how their performance is expected to be influenced by the presence of environmental noise.},
doi = {10.1039/C9CP05625D},
journal = {Physical Chemistry Chemical Physics. PCCP (Print)},
number = 5,
volume = 22,
place = {United Kingdom},
year = {2020},
month = {2}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record
https://doi.org/10.1039/C9CP05625D

Citation Metrics:
Cited by: 1 work
Citation information provided by
Web of Science

Save / Share:

Works referenced in this record:

Anharmonic properties of the vibrational quantum computer
journal, May 2007

  • Zhao, Meiyu; Babikov, Dmitri
  • The Journal of Chemical Physics, Vol. 126, Issue 20
  • DOI: 10.1063/1.2736693

Quantum Computing with Molecules
journal, June 1998


Quantum computers
journal, March 2010


Schemes for robust quantum computation with polar molecules
journal, November 2006


The role of anharmonicity and coupling in quantum computing based on vibrational qubits
journal, April 2006


Quantum Privacy Amplification and the Security of Quantum Cryptography over Noisy Channels
journal, September 1996


Room temperature manipulation of long lifetime spins in metallic-like carbon nanospheres
journal, July 2016

  • Náfrádi, Bálint; Choucair, Mohammad; Dinse, Klaus-Peter
  • Nature Communications, Vol. 7, Issue 1
  • DOI: 10.1038/ncomms12232

Quantum Computation with Trapped Polar Molecules
journal, January 2002


Molecular spins for quantum computation
journal, March 2019


Optical Quantum Computing
journal, December 2007


Accuracy of gates in a quantum computer based on vibrational eigenstates
journal, January 2004

  • Babikov, Dmitri
  • The Journal of Chemical Physics, Vol. 121, Issue 16
  • DOI: 10.1063/1.1791635

The Physical Implementation of Quantum Computation
journal, September 2000


Quantum computation with quantum dots
journal, January 1998


Light-Harvesting and Ultrafast Energy Migration in Porphyrin-Based Metal–Organic Frameworks
journal, December 2012

  • Son, Ho-Jin; Jin, Shengye; Patwardhan, Sameer
  • Journal of the American Chemical Society, Vol. 135, Issue 2
  • DOI: 10.1021/ja310596a

Universal quantum gates between nitrogen-vacancy centers in a levitated nanodiamond
journal, February 2019


Excitons in Conjugated Oligomer Aggregates, Films, and Crystals
journal, May 2006


Frenkel exciton model of ultrafast excited state dynamics in AT DNA double helices
journal, August 2007


Modeling the effects of molecular disorder on the properties of Frenkel excitons in organic molecular semiconductors
journal, September 2018

  • Shi, Liang; Willard, Adam P.
  • The Journal of Chemical Physics, Vol. 149, Issue 9
  • DOI: 10.1063/1.5044553

Quantum computing using rotational modes of two polar molecules
journal, June 2009


Exciton dynamics in solid-state green fluorescent protein
journal, January 2017

  • Dietrich, Christof P.; Siegert, Marie; Betzold, Simon
  • Applied Physics Letters, Vol. 110, Issue 4
  • DOI: 10.1063/1.4974033

On the Transformation of light into Heat in Solids. I
journal, January 1931


Modeling the Influence of Correlated Molecular Disorder on the Dynamics of Excitons in Organic Molecular Semiconductors
journal, December 2018

  • Lee, Chee Kong; Shi, Liang; Willard, Adam P.
  • The Journal of Physical Chemistry C, Vol. 123, Issue 1
  • DOI: 10.1021/acs.jpcc.8b11504

High Fidelity Quantum Gates with Vibrational Qubits
journal, August 2012

  • Berrios, Eduardo; Gruebele, Martin; Shyshlov, Dmytro
  • The Journal of Physical Chemistry A, Vol. 116, Issue 46
  • DOI: 10.1021/jp3055729

Photonic quantum information processing: a review
journal, November 2018

  • Flamini, Fulvio; Spagnolo, Nicolò; Sciarrino, Fabio
  • Reports on Progress in Physics, Vol. 82, Issue 1
  • DOI: 10.1088/1361-6633/aad5b2

Preparation and addressability of molecular vibrational qubit states in the presence of anharmonic resonance
journal, September 2003


Temperature-dependent conformations of exciton-coupled Cy3 dimers in double-stranded DNA
journal, February 2018

  • Kringle, Loni; Sawaya, Nicolas P. D.; Widom, Julia
  • The Journal of Chemical Physics, Vol. 148, Issue 8
  • DOI: 10.1063/1.5020084

Quantum Computations with Cold Trapped Ions
journal, May 1995


Complexity and simplicity of optimal control theory pulses shaped for controlling vibrational qubits
journal, November 2012

  • Shyshlov, Dmytro; Babikov, Dmitri
  • The Journal of Chemical Physics, Vol. 137, Issue 19
  • DOI: 10.1063/1.4765344

Lessons from nature about solar light harvesting
journal, September 2011

  • Scholes, Gregory D.; Fleming, Graham R.; Olaya-Castro, Alexandra
  • Nature Chemistry, Vol. 3, Issue 10
  • DOI: 10.1038/nchem.1145

Controlled exchange interaction between pairs of neutral atoms in an optical lattice
journal, July 2007

  • Anderlini, Marco; Lee, Patricia J.; Brown, Benjamin L.
  • Nature, Vol. 448, Issue 7152
  • DOI: 10.1038/nature06011

Magnetic-field-dependent quantum emission in hexagonal boron nitride at room temperature
journal, January 2019


Programmed coherent coupling in a synthetic DNA-based excitonic circuit
journal, November 2017

  • Boulais, Étienne; Sawaya, Nicolas P. D.; Veneziano, Rémi
  • Nature Materials, Vol. 17, Issue 2
  • DOI: 10.1038/nmat5033

Nitrogen-vacancy centers: Physics and applications
journal, February 2013


Quantum information processing with superconducting circuits: a review
journal, September 2017


The Theory of Molecular Excitons
journal, February 1964