Credit for research findings goes to a quantum computer-based approach which aligns well with theoretical frameworks, marking a groundbreaking leap in understanding the quantum-level interactions between light-sensitive molecules and incoming photons. The research was conducted at Duke University and led by Jacob Whitlow.
For the first time, a quantum computer has been used to decelerate the quantum effects in simulated molecules by a factor of a billion, permitting the direct measurement of these effects by researchers.
The team at Duke University has employed a quantum approach to explore a particular quantum effect—known as a conical intersection—that governs how light-sensitive molecules respond to photons. This conical intersection sets constraints on the possible transformations these molecules can undergo as they shift from one configuration to another.
This research methodology employed a quantum simulator, which was derived from advances in the realm of quantum computing. It addresses a seminal issue in chemistry, crucial to phenomena such as photosynthesis, human vision, and photocatalysis. It also underscores how innovations in quantum computing can aid in the probing of elemental scientific questions.
The findings were made public in the journal Nature Chemistry on August 28.
Table of Contents
Understanding Conical Intersections
Kenneth Brown, the Michael J. Fitzpatrick Distinguished Professor of Engineering at Duke, elaborated that the mathematical theory of conical intersections had implied that certain molecular transitions were unachievable. “Though measuring this constraint, known as a geometric phase, is not inherently impossible, it had never been accomplished before. Utilizing a quantum simulator permitted us to observe it in its genuine quantum state,” said Brown.
The concept of conical intersections can be metaphorically represented as the meeting point of a mountain peak and its reflection. These intersections control the movement of electrons between various energy states. When a molecule absorbs energy from a photon, its electrons get excited, necessitating a shift back to a lower energy state, a process that involves the rearranging of atoms within the molecule.
Quantum Characteristics in Molecular Behavior
The incredibly high speeds at which atoms and electrons operate result in the manifestation of quantum effects. This means a molecule can exist in multiple configurations simultaneously. However, a mathematical idiosyncrasy, known as a geometric phase, prevents certain transitions.
Jacob Whitlow, a Ph.D. student in Brown’s lab, explained, “If a molecule has alternative routes to arrive at a certain final configuration and those routes happen to encircle a conical intersection, that configuration becomes unattainable.”
The Challenge of Capturing Geometric Phase
Capturing this fleeting and diminutive quantum phenomenon has always been an uphill battle. While many sub-components of the broader conical intersection phenomenon have been analyzed, capturing the geometric phase has consistently eluded scientific scrutiny.
The Role of Quantum Computing in Scientific Investigation
Whitlow, along with other researchers, made use of a five-ion quantum computer developed by Jungsang Kim, the Schiciano Family Distinguished Professor of Electrical and Computer Engineering at Duke. This computer manipulates charged atoms in a vacuum through laser technology, providing a controlled environment for experimentation. These controlled conditions enabled direct measurements of the geometric phase, fundamentally mimicking the quantum behaviors seen around conical intersections.
“The system is simplified enough through the use of trapped ions, facilitating these exact measurements,” Brown noted.
Similar findings were also reported by an independent study at the University of Sydney, Australia, employing a distinct methodological approach but confirming the general observations.
Citations
The research was supported by the Intelligence Advanced Research Projects Activity (W911NF-16-1-0082), the National Science Foundation (Phy-1818914, OMA-2120757), the Department of Energy Office of Advanced Scientific Computing Research QSCOUT program (DE-0019449), and the Army Research Office (W911NF-18-1-0218).
DOI: 10.1038/s41557-023-01303-0
Published on 28 August 2023 in Nature Chemistry.
Frequently Asked Questions (FAQs) about Quantum Computing in Molecular Chemistry
What is the main focus of the research conducted at Duke University?
The main focus of the research is to employ quantum computing to understand the quantum effects in light-sensitive molecules. Specifically, the study aims to directly measure these quantum effects for the first time, providing insights into a conical intersection—a phenomenon that imposes limitations on molecular transformations.
Who led the research at Duke University?
The research was led by Jacob Whitlow and was conducted under the guidance of Kenneth Brown, the Michael J. Fitzpatrick Distinguished Professor of Engineering at Duke University.
What is a conical intersection?
A conical intersection is a quantum phenomenon that sets constraints on the possible transformations light-sensitive molecules can undergo when they interact with incoming photons. It serves as an inflection point where the molecules must decide between reverting to their original state or successfully transitioning to a new configuration.
What is the significance of this research?
The research addresses a long-standing question in chemistry that is fundamental to processes such as photosynthesis, vision, and photocatalysis. It demonstrates how advances in quantum computing can be applied to probe elemental scientific questions, providing insights that were previously difficult to attain.
What methodology was used in the research?
A five-ion quantum computer was employed for the study. This quantum computer uses lasers to manipulate charged atoms in a vacuum, thereby providing a highly controlled experimental environment. The quantum dynamics of the trapped ions, which are about a billion times slower than those of a molecule, enabled the researchers to make direct measurements of the geometric phase.
What is the geometric phase and why is it important?
The geometric phase is a mathematical constraint that prevents certain molecular transformations from occurring. Understanding this concept can provide deeper insights into why certain molecular transformations are or are not possible, which has broad implications in the fields of chemistry and materials science.
Have similar studies been conducted elsewhere?
Yes, an independent study with similar findings was conducted at the University of Sydney, Australia. Although the methodology differed in technical details, the overall observations were consistent with the Duke University research.
What is the source of funding for this research?
The research received funding from various organizations including the Intelligence Advanced Research Projects Activity, the National Science Foundation, the Department of Energy Office of Advanced Scientific Computing Research QSCOUT program, and the Army Research Office.
Where were the research findings published?
The results of the study were published in the journal Nature Chemistry on August 28.
What is the DOI for the publication?
The DOI for the published paper is 10.1038/s41557-023-01303-0.
More about Quantum Computing in Molecular Chemistry
- Nature Chemistry Journal
- Duke University Research Programs
- Intelligence Advanced Research Projects Activity
- National Science Foundation
- Department of Energy Office of Advanced Scientific Computing Research
- Army Research Office
- University of Sydney Research
10 comments
conical intersections and geometric phases, such abstract concepts made measurable? I’m blown away. Kudos to Duke and all involved.
I see the project was funded by both the military and national science organizations. Makes me wonder about the potential applications of this research…
Been following quantum computing for years and this is exactly the kind of breakthrough I was waiting for. Duke’s team is nailing it!
So they’re saying this could have implications for photosynthesis? That could be a big deal for climate science and sustainability.
Kenneth Brown’s team at Duke is really pushing boundaries. I can’t wait to see how this research will impact other fields too. Like, what’s next?
Anyone knows if similar research is being conducted elsewhere? Cause this is revolutionary and more minds should be on it.
didn’t understand half the article but hey, if it’s gonna change the world, I’m all for it.
this is y quantum computing is a game changer. It’s not just about faster computers, its deeper than that. opens doors to understanding the universe.
I gotta say, its one thing to observe these effects in a controlled quantum computer but how does it translate to real-world applications? Curious.
Wow, this is groundbreaking stuff! Who would’ve thought that quantum computing could play such a crucial role in understanding molecular chemistry. This is the future.