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There are high expectations that quantum computers may deliver revolutionary new possibilities for simulating chemical processes. This could have a major impact on everything from the development of new pharmaceuticals to new materials. Researchers at Chalmers University have now, for the first time in Sweden, used a quantum computer to undertake calculations within a real-life case in chemistry.

"Quantum computers could in theory be used to handle cases where electrons and atomic nuclei move in more complicated ways. If we can learn to utilize their full potential, we should be able to advance the boundaries of what is possible to calculate and understand," says Martin Rahm, Associate Professor in Theoretical Chemistry at the Department of Chemistry and Chemical Engineering, who has led the study.

Within the field of quantum chemistry, the laws of quantum mechanics are used to understand which chemical reactions are possible, which structures and materials can be developed, and what characteristics they have. Such studies are normally undertaken with the help of super computers, built with conventional logical circuits. There is however a limit for which calculations conventional computers can handle. Because the laws of quantum mechanics describe the behavior of nature on a subatomic level, many researchers believe that a quantum computer should be better equipped to perform molecular calculations than a conventional computer.

"Most things in this world are inherently chemical. For example, our energy carriers, within biology as well as in old or new cars, are made up of electrons and atomic nuclei arranged in different ways in molecules and materials. Some of the problems we solve in the field of quantum chemistry are to calculate which of these arrangements are more likely or advantageous, along with their characteristics," says Martin Rahm.

There is still a way to go before quantum computers can achieve what the researchers are aiming for. This field of research is still young and the small model calculations that are run are complicated by noise from the quantum computer's surroundings. However, Martin Rahm and his colleagues have now found a method that they see as an important step forward. The method is called Reference-State Error Mitigation (REM) and works by correcting for the errors that occur due to noise by utilizing the calculations from both a quantum computer and a conventional computer.

"The study is a proof-of-concept that our method can improve the quality of quantum-chemical calculations. It is a useful tool that we will use to improve our calculations on quantum computers moving forward," says Martin Rahm. The article, "Reference-State Error Mitigation: A Strategy for High Accuracy Quantum Computation of Chemistry," is published in the Journal of Chemical Theory and Computation.

The principle behind the method is to first consider a reference state by describing and solving the same problem on both a conventional and a quantum computer. This reference state represents a simpler description of a molecule than the original problem intended to be solved by the quantum computer. A conventional computer can solve this simpler version of the problem quickly. By comparing the results from both computers, an exact estimate can be made for the amount of error caused by noise. The difference between the two computers' solutions for the reference problem can then be used to correct the solution for the original, more complex, problem when it is run on the quantum processor.

By combining this new method with data from Chalmers' quantum computer Srimner the researchers have succeeded in calculating the intrinsic energy of small example molecules such as hydrogen and lithium hydride. Equivalent calculations can be carried out more quickly on a conventional computer, but the new method represents an important development and is the first demonstration of a quantum chemical calculation on a quantum computer in Sweden.

"We see good possibilities for further development of the method to allow calculations of larger and more complex molecules, when the next generation of quantum computers are ready," says Martin Rahm.

The research has been conducted in close collaboration with colleagues at the Department of Microtechnology and Nanoscience. They have built the quantum computers that are used in the study, and helped perform the sensitive measurements that are needed for the chemical calculations.

"It is only by using real quantum algorithms that we can understand how our hardware really works and how we can improve it. Chemical calculations are one of the first areas where we believe that quantum computers will be useful, so our collaboration with Martin Rahm's group is especially valuable," says Jonas Bylander, Associate Professor in Quantum Technology at the Department of Microtechnology and Nanoscience.

More information: Phalgun Lolur et al, Reference-State Error Mitigation: A Strategy for High Accuracy Quantum Computation of Chemistry, Journal of Chemical Theory and Computation (2023). DOI: 10.1021/acs.jctc.2c00807

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Swedish quantum computer applied to chemistry for the first time - Phys.org

Twice round the world by Boomerang balloon Science News, April 7, 1973

Scientists recovered for the first time a balloon scientific payload after a long-duration, twice-around-the-world flight. The project is called Boomerang and is designed to demonstrate the feasibility of using balloons for long-duration research.

Balloons fill an important niche in science, bearing instruments to study physics, atmospheric chemistry and astronomy, or to test technologies for space missions. For instance, data collected by balloons have helped reveal that the universe is geometrically flat, that Earths lower atmosphere is rising due to climate change and how wildfire smoke impacts the ozone layer (SN: 10/08/02; SN: 12/18/21; SN: 8/8/19).

Earlier this year, the United States shot down several objects high above the country, one of which is alleged to be a surveillance balloon from China. Others are likely tied to private companies, recreation or research institutions studying weather or conducting other scientific research, President Joe Biden said February16 in a news briefing. Some scientists worry rising concerns over spying could limit where high-altitude balloons go a tall order for vessels that follow the wind.

Questions or comments on this article? E-mail us atfeedback@sciencenews.org | Reprints FAQ

A version of this article appears in the April 8, 2023 issue of Science News.

Carolyn Gramling is the earth & climate writer. She has bachelors degrees in geology and European history and a Ph.D. in marine geochemistry from MIT and the Woods Hole Oceanographic Institution.

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50 years ago, a balloon circumnavigated the world for science - Science News Magazine

BUFFALO, N.Y. Moir patterns occur everywhere. They are created by layering two similar but not identical geometric designs. A common example is the pattern that sometimes emerges when viewing a chain-link fence through a second chain-link fence.

For more than 10 years, scientists have been experimenting with the moir pattern that emerges when a sheet of graphene is placed between two sheets of boron nitride. The resulting moir pattern has shown tantalizing effects that could vastly improve semiconductor chips that are used to power everything from computers to cars.

A new study led by University at Buffalo researchers, and published in Nature Communications, demonstrated that graphene can live up to its promise in this context.

Our recent work shows that this particular sandwich of graphene and boron nitride elicits properties that are suitable for use in new technological applications, said Jonathan Bird, PhD, professor and chair of the Department of Electrical Engineering at UB. The research was funded in part by the U.S. Department of Energy and a MURI grant from Air Force Office of Scientific Research.

Graphene is made of carbon, just like charcoal and diamonds. What distinguishes graphene is the way the carbon atoms are put together: they are linked in a hexagonal or honeycomb pattern. The resulting material is the thinnest material known to exist, so thin that scientists call it two-dimensional.

Left alone, graphene conducts electricity well too well, in fact, to be useful in microelectronic technology. But by sandwiching graphene between two layers of boron nitride, which also has a hexagonal pattern, a moir pattern results. The presence of this pattern is accompanied by dramatic changes in the properties of the graphene, essentially turning what would normally be a conducting material into one with (semiconductor-like) properties that are more amenable to use in advanced microelectronics.

This research establishes how the moir pattern in graphene can be adapted to use in technological applications such as new types of communication devices, lasers and light-emitting diodes. Our work demonstrated the viability of this approach, showing that the graphene/boron nitride sandwich that we are studying does indeed have the favorable properties needed for microelectronics, said Bird.

The semiconductor chips in question are essential not just in smartphones and medical devices but also in smart-home gadgets such as dishwashers, vacuums, and home-security systems. Modern technology relies on the semiconductor chips that form the heart of their systems and control their operation, said Bird. When you talk into your cell phone, its the chip that converts your voice to an electronic signal and transmits it to a tower.

The graphene/boron-nitride heterostructure appears to have properties that are amenable to engineering. Developing future technology based on these materials may depend on discovering and harnessing properties that allow for greater speed and functionality. Bird noted that there is typically a lag between a discovery, the excitement about a discovery, and realizing the promise of the discovery. Graphene so common that its in any note scribbled with pencil wasnt discovered until 2004.

Bird earned a PhD in physics, but he was drawn to electrical engineering because it allowed him to explore quantum physics through research on semiconductors. Quantum physics the kind of magical physics that occurs at the atomic scale, he explained can be observed through experiments using technology that explores material and processes at the atomic level.

We can get a system to respond to actions we take, and that response reflects details of the atomic and quantum nature of the system, he said. Graphene attracted his attention because it appeared to be a way to study quantum effects through work on semiconductors. At UB, he established a lab called NoMaD, where he, his colleagues, and their students study quantum phenomena occurring at the nanoscale. Graduates have gone on to careers at Intel and IBM as well as other universities.

In this research, Bird and his team have explored the properties of graphene within a certain limit that must be achieved to create new technologies. The semiconductor chip industry is a massive industry that continues to grow, demanding new materials, new ways to use existing materials, and a new workforce capable of developing both.

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A particular 'sandwich' of graphene and boron nitride may lead to ... - University at Buffalo

BYLINE: Randy Weiler

Newswise The new field ofquantum information sciencehas been growing across the U.S. and around the globe, and now it has been developed for students and scholars to study atMiddle Tennessee State University.

TheCollege of Basic and Applied SciencesandDepartment of Physics and Astronomylaunched a new website (www.mtsu.edu/quantum) this week to introduce theMTSU Quantum Science Initiativetaking shape at the university, promoting faculty efforts in research, education and workforce development in the field of quantum sciences.

As part of MTSUs quantum education efforts, associate professor and computational quantum physics expertHanna Terletskahas piloted a new interdisciplinary undergraduate course on quantum computing for MTSU students from different departments within the college.

Its critical that our students have access to and are trained for the 21st-century jobs and workforce skills, Terletska said. MTSU has a unique opportunity to position itself as a hub for quantum science and education in the Middle Tennessee region with the potential to attract top talent to MTSU.

Seventeen MTSU students are taking a class Introduction to Quantum Computing for the first time this semester. It is for all STEM science, technology, engineering and technology majors.

Quantum information science is a rapidly growing field with enormous potential to transform various areas, Terletska indicated, including computing, national security, financing, energy research, new materials, health care and information technology.

Terletska is the first MTSUNational Science Foundation Early Career Awardrecipient the most prestigious national honor for young U.S. faculty and her National Science Foundation funding, two existing grants totaling about $635,000, are in the area of computational study of quantum materials with strong correlations and impurities and imperfections.

Terletska has applied for two NSF grants, one for $1 million and another for $800,000, and a $500,000 grant from the U.S. Department of Energy. MTSU anticipates hearing results from the applications later this year.

Joining Terletska, who is considered a global rising star in physics and research, in the initiative, are physics and astronomy ChairRon HendersonandbiologyprofessorRyan Otter, director of the MTSUData Science Institute. Henderson and physics faculty memberNeda Naseriare training in the course.

The MTSU initiative aims to integrate quantum concepts into existing courses and programs, train students in quantum science and develop new educational programs at all levels, including K-20, to cover kindergarten to graduate-degree training.

According to Terletska, quantum physics explores the behavior of matter and energy at the atomic and subatomic level to understand the fundamental properties of nature.

Quantum technologies, including quantum computing, energy storage and transformation and sensing, are based on quantum physics and materials and have transformative potential in various fields.

The U.S. government has identified quantum research and education as key tenets of science and technology, as outlined in the National Quantum Initiative Act, passed in 2018. Major federal science and research agencies, including the National Science Foundation, National Institute of Standards and Technology, and the Department of Energy are supporting this area of research.

Our efforts align perfectly with MTSUs ongoing efforts to maintain its (Carnegie) R2 high research activity status by growing and expanding in this strategically important research focus, Terletska said.

Added College of Basic and Applied Sciences DeanGreg Van Patten, As MTSU continues to build our research portfolio and to ascend through the R2 ranks, we must focus energy and resources into areas where we have competitive advantages. Recent successes in the area of quantum science, from Dr. Terletska and others, make this an emerging area of strength for MTSU.

We have amassed support from federal agencies, established collaborations with other universities and have excited interest from a number of undergraduate and graduate students who see future opportunities in the eventual commercialization of quantum information technology.

Van Patten said the colleges mission focuses on preparing students at all levels for successful careers across a range of scientific and technical fields, on promoting scholarship and scientific inquiry and on addressing key scientific challenges that face our nation.

The ongoing research on quantum information science at MTSU hits all three parts of the college mission. At present, quantum science is a rapidly advancing field that is beginning its transition from the laboratory to the marketplace. It has the potential to revolutionize certain computational tasks, including cybersecurity, and Im excited that MTSU is involved in moving this field forward.

Physics chair Henderson added that the field of quantum science is evolving rapidly, and MTSU physics majors are eager to find ways to enter the quantum workforce.

In addition to Dr. Terletskas quantum computing class, we anticipate adding future courses, and eventually a concentration in quantum science, to provide a pathway to these new careers for our majors. We are also partnering with local community colleges to extend this access to more students.

With the recently submitted NSF grant, Terletska is partnering with Fisk University in Nashville, Tennessee; the University of Tennessee-Chattanooga; Tennessee Tech in Cookeville, Tennessee; and Auburn University in Alabama to provide experiential training and increase the quantum workforce in the Southeast region.

We are working together with Fisk and Vanderbilt Universitys Wondry center for innovation on educational workforce for training students in quantum, she said.

Recruiting a diverse and interdisciplinary pool of students is part of the efforts. Terletska conducted recent quantum workshops with MTSUWISTEM Center(Women in STEM) students, Vanderbilt students and earlier this year with Fisk students in Nashville.

Last fall, Terletska and Naseri conducted a quantum workshop for Riverdale High School students, who had been invited to campus by MTSUDepartment of BiologyChairDennis Mullen. More workshops are planned.

Through the regional university partnerships, the initiative plans to create a network of researchers and students who can collaborate to tackle some of the biggest challenges in the field, Terletska said. Ultimately, the MTSU effort will provide students with the training necessary for the rising job market and career opportunities in the quantum sector, both local and nationwide.

The initiative also is working to establish partnerships with industry partners and K-20 teachers to develop a Tennessee quantum-ready workforce, she said.

To promote diversity and inclusion, the initiative will foster an interdisciplinary collaborative environment and engage underrepresented groups, Terletska added. This includes recruiting women, first-generation and minority students and introducing quantum through teacher workshops, high school camps and other events.

Our goal is to provide access to quantum education and research resources to a broad and diverse community and inspire individuals from all backgrounds to participate in quantum science, Terletska said. Through these efforts, we aim to nurture the next generation of quantum leaders and support the creation of a robust quantum ecosystem in Tennessee, positioning MTSU as a leader in this field in the region.

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Quantum education emerges with unlimited potential at MTSU - Newswise

BURNABY, British Columbia and PALO ALTO, Calif., April 19, 2023 D-Wave Quantum Inc., a leader in quantum computing systems, software, and servicesand the only provider building both annealing and gate-model quantum computers, today published a peer-reviewed milestone paper showing the performance of its 5,000 qubit Advantage quantum computer is significantly faster than classical compute on 3D spin glass optimization problems, an intractable class of optimization problems. This paper also represents the largest programmable quantum simulation reported to date.

The papera collaboration between scientists from D-Wave and Boston Universityentitled Quantum critical dynamics in a 5,000-qubit programmable spin glass, was published in the peer-reviewed journal Nature today and is available here. Building upon research conducted on up to 2,000 qubits last September, the study shows that the D-Wave quantum processor can compute coherent quantum dynamics in large-scale optimization problems. This work was done using D-Waves commercial-grade annealing-based quantum computer, which is accessible for customers to use today.

With immediate implications to optimization, the findings show that coherent quantum annealing can improve solution quality faster than classical algorithms. The observed speedup matches the theory of coherent quantum annealing and shows a direct connection between coherence and the core computational power of quantum annealing.

This research marks a significant achievement for quantum technology, as it demonstrates a computational advantage over classical approaches for an intractable class of optimization problems, said Dr. Alan Baratz, CEO of D-Wave. For those seeking evidence of quantum annealings unrivaled performance, this work offers definitive proof.

This work supports D-Waves ongoing commitment to relentless scientific innovation and product delivery, as the company continues development on its future annealing and gate model quantum computers. To date, D-Wave has brought to market five generations of quantum computers and launched an experimental prototype of its sixth-generation machine, the Advantage2 system, in June 2022. The full Advantage2 system is expected to feature 7,000+ qubits, 20-way connectivity and higher coherence to solve even larger and more complex problems. Read more about the research in our Medium post here.

Papers Authors and Leading Industry Voices Echo Support

This is an important advance in the study of quantum phase transitions on quantum annealers. It heralds a revolution in experimental many-body physics and bodes well for practical applications of quantum computing, said Wojciech Zurek, theoretical physicist at Los Alamos National Laboratory and leading authority on quantum theory. Dr. Zurek is widely renowned for his groundbreaking contribution to our understanding of the early universe as well as condensed matter systems through the discovery of the celebrated Kibble-Zurek mechanism. This mechanism underpins the physics behind the experiment reported in this paper. The same hardware that has already provided useful experimental proving ground for quantum critical dynamics can be also employed to seek low-energy states that assist in finding solutions to optimization problems.

Disordered magnets, such as spin glasses, have long functioned as model systems for testing solvers of complex optimization problems, said Gabriel Aeppli, professor of physics at ETH Zrich and EPF Lausanne, and head of the Photon Science Division of the Paul Scherrer Institut. Professor Aeppli coauthored the first experimental paper demonstrating advantage of quantum annealing over thermal annealing in reaching ground state of disordered magnets. This paper gives evidence that the quantum dynamics of a dedicated hardware platform are faster than for known classical algorithms to find the preferred, lowest energy state of a spin glass, and so promises to continue to fuel the further development of quantum annealers for dealing with practical problems.

As a physicist who has built my career on computer simulations of quantum systems, it has been amazing to experience first-hand the transformative capabilities of quantum annealing devices, said Anders Sandvik, professor of physics at Boston University and a coauthor of the paper. This paper already demonstrates complex quantum dynamics on a scale beyond any classical simulation method, and Im very excited about the expected enhanced performance of future devices. I believe we are now entering an era when quantum annealing becomes an essential tool for research on complex systems.

This work marks a major step towards large-scale quantum simulations of complex materials, said Hidetoshi Nishimori, Professor, Institute of Innovative Research, Tokyo Institute of Technology and one of the original inventors of quantum annealing. We can now expect novel physical phenomena to be revealed by quantum simulations using quantum annealing, ultimately leading to the design of materials of significant societal value.

This represents some of the most important experimental work ever performed in quantum optimization, said Dr. Andrew King, director of performance research at D-Wave. Weve demonstrated a speedup over simulated annealing, in strong agreement with theory, providing high-quality solutions for large-scale problems. This work shows clear evidence of quantum dynamics in optimization, which we believe paves the way for even more complex problem-solving using quantum annealing in the future. The work exhibits a programmable realization of lab experiments that originally motivated quantum annealing 25 years ago.

Not only is this the largest demonstration of quantum simulation to date, but it also provides the first experimental evidence, backed by theory, that coherent quantum dynamics can accelerate the attainment of better solutions in quantum annealing, said Mohammad Amin, fellow, quantum algorithms and systems, at D-Wave. The observed speedup can be attributed to complex critical dynamics during quantum phase transition, which cannot be replicated by classical annealing algorithms, and the agreement between theory and experiment is remarkable. We believe these findings have significant implications for quantum optimization, with practical applications in addressing real-world problems.

About D-Wave Quantum Inc.

D-Wave (NYSE: QBTS) is a leader in the development and delivery of quantum computing systems, software, and services, and is the worlds first commercial supplier of quantum computersand the only company building both annealing quantum computers and gate-model quantum computers. Our mission is to unlock the power of quantum computing today to benefit business and society. We do this by delivering customer value with practical quantum applications for problems as diverse as logistics, artificial intelligence, materials sciences, drug discovery, scheduling, cybersecurity, fault detection, and financial modeling. D-Waves technology is being used by some of the worlds most advanced organizations, including Volkswagen, Mastercard, Deloitte, Davidson Technologies, ArcelorMittal, Siemens Healthineers, Unisys, NEC Corporation, Pattison Food Group Ltd., DENSO, Lockheed Martin, Forschungszentrum Jlich, University of Southern California, and Los Alamos National Laboratory.

Source: D-Wave

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D-Wave Demonstrates First-Ever Coherent Quantum Spin Glass ... - HPCwire