By Gaea Marelle Miranda, M.Sc.Feb 11 2019In an electromagnetic spectrum, the high-energy end produces ultraviolet energy, while the low-energy produces infrared. The infrared region can be used to analyze organic compounds, which are then used in a variety of applications. In recent years, there has been evidence to suggest that infrared components could potentially be utilized in a variety of quantum computational processes
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Defining Infrared Spectroscopy
Infrared spectroscopy is the process of analyzing how infrared light interacts with molecules by determining an infrared spectrum. Absorption, reflection, and emission are the primary means by which infrared light can be analyzed. Through these processes, atomic vibrations are measured, with lighter atoms and stronger bonds yielding high-frequency vibrations. Because of its ease-of-use, infrared spectrometry has become one of the most commonly used methods for assessing organic and inorganic compounds.
Infrared spectroscopy rests on the assumption that molecules adapt with frequencies that are similar to their structures. Molecules have various vibration modes that yield different outcomes.
Applications of Infrared Spectroscopy in Quantum Computing
The last 50 years saw significant advancements in the field of quantum chemistry. At present, quantum chemistry is perceived as a highly-specialized discipline that is focused on the quantitative computation of molecules, which ultimately promote a variety of applications.
Novel approaches to quantum computing aim to develop hybrid or experimental simulations. In a recent Japanese study, a quantum computing simulation was utilized for the infrared spectrum of water. Results showed that the hybrid method can produce more accurate results at lower operational costs.
In another study, infrared spectroscopy was used in quantum chemical computations specifically for OH-(H2O)n. Findings revealed that quantum computing could predict cyclic structures that are most appropriate or reliable for the complexes. It was also found that hydrogen bonds with the complexes are dependent on cluster size.
A quantum chemical study of carbon materials or compounds was also of great interest. The computational approach was found to be useful in several models of carbon compounds which have graphene layers. Results of the study revealed that conjugation effects could be functionally controlled and that phenolic group interactions with hydrogen bonds could decrease the frequency of C==O bonds.
Future Directions
The study of quantum chemistry is aimed at the development of models that could accurately measure or address any chemical problem. While recent previous studies have rendered this goal seemingly unreachable, current developments in the field denote that the objective may be achieved through the appropriate use of infrared-related processes such as infrared spectroscopy.
In particular, researchers are now examining the relevance of infrared spectroscopy in the development of “qudits” that are able to compute data in at least ten states, enabling the further development of quantum computers; which are significantly more powerful than any other existing computational unit.
Studies emphasize the use of infrared wavelengths in differentiating between the photons involved in the development of qudits. While researches would provide support on the potential of this method, there is still a need to conduct further empirical research to determine the feasibility of such a method.
Sources and Further Reading
- “Infrared Spectroscopy”, Management and Science University, https://www2.chemistry.msu.edu/faculty/reusch/virttxtjml/spectrpy/infrared/infrared.htm.
- “Infrared Spectroscopy of Carbon Materials: A Quantum Chemical Study of Model Compounds”, The Journal of Physical Chemistry
- “Qudits: The Real Future of Quantum Computing?”, IEEE Spectrum, https://spectrum.ieee.org/tech-talk/computing/hardware/qudits-the-real-future-of-quantum-computing.
- “Infrared Spectroscopy”, Radboud University
- “Computing protein infrared spectroscopy with quantum chemistry”, Philosophical Transactions, https://www.ncbi.nlm.nih.gov/pubmed/17855213.
- “Infrared Spectroscopy and Quantum Chemical Calculations of OH-(H2O)n Complexes”, The Journal of Physical Chemistry
- “Hybrid classical/quantum simulation for infrared spectroscopy of water”, Journal of Applied Physics
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