Quantum
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KAIST Proposes AI Training Method that will Drastically Shorten Time for Complex Quantum Mechanical Calculations
- Professor Yong-Hoon Kim's team from the School of Electrical Engineering succeeded for the first time in accelerating quantum mechanical electronic structure calculations using a convolutional neural network (CNN) model
- Presenting an AI learning principle of quantum mechanical 3D chemical bonding information, the work is expected to accelerate the computer-assisted designing of next-generation materials and devices
The close relationship between AI and high-performance scientific computing can be seen in the fact that both the 2024 Nobel Prizes in Physics and Chemistry were awarded to scientists for their AI-related research contributions in their respective fields of study. KAIST researchers succeeded in dramatically reducing the computation time for highly sophisticated quantum mechanical computer simulations by predicting atomic-level chemical bonding information distributed in 3D space using a novel AI approach.
KAIST (President Kwang-Hyung Lee) announced on the 30th of October that Professor Yong-Hoon Kim's team from the School of Electrical Engineering developed a 3D computer vision artificial neural network-based computation methodology that bypasses the complex algorithms required for atomic-level quantum mechanical calculations traditionally performed using supercomputers to derive the properties of materials.
< Figure 1. Various methodologies are utilized in the simulation of materials and materials, such as quantum mechanical calculations at the nanometer (nm) level, classical mechanical force fields at the scale of tens to hundreds of nanometers, continuum dynamics calculations at the macroscopic scale, and calculations that mix simulations at different scales. These simulations are already playing a key role in a wide range of basic research and application development fields in combination with informatics techniques. Recently, there have been active efforts to introduce machine learning techniques to radically accelerate simulations, but research on introducing machine learning techniques to quantum mechanical electronic structure calculations, which form the basis of high-scale simulations, is still insufficient. >
The quantum mechanical density functional theory (DFT) calculations using supercomputers have become an essential and standard tool in a wide range of research and development fields, including advanced materials and drug design, as they allow fast and accurate prediction of material properties.
*Density functional theory (DFT): A representative theory of ab initio (first principles) calculations that calculate quantum mechanical properties from the atomic level.
However, practical DFT calculations require generating 3D electron density and solving quantum mechanical equations through a complex, iterative self-consistent field (SCF)* process that must be repeated tens to hundreds of times. This restricts its application to systems with only a few hundred to a few thousand atoms.
*Self-consistent field (SCF): A scientific computing method widely used to solve complex many-body problems that must be described by a number of interconnected simultaneous differential equations.
Professor Yong-Hoon Kim’s research team questioned whether recent advancements in AI techniques could be used to bypass the SCF process. As a result, they developed the DeepSCF model, which accelerates calculations by learning chemical bonding information distributed in a 3D space using neural network algorithms from the field of computer vision.
< Figure 2. The deepSCF methodology developed in this study provides a way to rapidly accelerate DFT calculations by avoiding the self-consistent field process (orange box) that had to be performed repeatedly in traditional quantum mechanical electronic structure calculations through artificial neural network techniques (green box). The self-consistent field process is a process of predicting the 3D electron density, constructing the corresponding potential, and then solving the quantum mechanical Cohn-Sham equations, repeating tens to hundreds of times. The core idea of the deepSCF methodology is that the residual electron density (δρ), which is the difference between the electron density (ρ) and the sum of the electron densities of the constituent atoms (ρ0), corresponds to chemical bonding information, so the self-consistent field process is replaced with a 3D convolutional neural network model. >
The research team focused on the fact that, according to density functional theory, electron density contains all quantum mechanical information of electrons, and that the residual electron density — the difference between the total electron density and the sum of the electron densities of the constituent atoms — contains chemical bonding information. They used this as the target for machine learning.
They then adopted a dataset of organic molecules with various chemical bonding characteristics, and applied random rotations and deformations to the atomic structures of these molecules to further enhance the model’s accuracy and generalization capabilities. Ultimately, the research team demonstrated the validity and efficiency of the DeepSCF methodology on large, complex systems.
< Figure 3. An example of applying the deepSCF methodology to a carbon nanotube-based DNA sequence analysis device model (top left). In addition to classical mechanical interatomic forces (bottom right), the residual electron density (top right) and quantum mechanical electronic structure properties such as the electronic density of states (DOS) (bottom left) containing information on chemical bonding are rapidly predicted with an accuracy corresponding to the standard DFT calculation results that perform the SCF process. >
Professor Yong-Hoon Kim, who supervised the research, explained that his team had found a way to map quantum mechanical chemical bonding information in a 3D space onto artificial neural networks. He noted, “Since quantum mechanical electron structure calculations underpin materials simulations across all scales, this research establishes a foundational principle for accelerating material calculations using artificial intelligence.”
Ryong-Gyu Lee, a PhD candidate in the School of Electrical Engineering, served as the first author of this research, which was published online on October 24 in Npj Computational Materials, a prestigious journal in the field of material computation. (Paper title: “Convolutional network learning of self-consistent electron density via grid-projected atomic fingerprints”)
This research was conducted with support from the KAIST High-Risk Research Program for Graduate Students and the National Research Foundation of Korea’s Mid-career Researcher Support Program.
2024.10.30 View 754 -
Using light to throw and catch atoms to open up a new chapter for quantum computing
The technology to move and arrange atoms, the most basic component of a quantum computer, is very important to Rydberg quantum computing research. However, to place the atoms at the desired location, the atoms must be captured and transported one by one using a highly focused laser beam, commonly referred to as an optical tweezer. and, the quantum information of the atoms is likely to change midway.
KAIST (President Kwang Hyung Lee) announced on the 27th that a research team led by Professor Jaewook Ahn of the Department of Physics developed a technology to throw and receive rubidium atoms one by one using a laser beam.
The research team developed a method to throw and receive atoms which would minimize the time the optical tweezers are in contact with the atoms in which the quantum information the atoms carry may change. The research team used the characteristic that the rubidium atoms, which are kept at a very low temperature of 40μK below absolute zero, move very sensitively to the electromagnetic force applied by light along the focal point of the light tweezers.
The research team accelerated the laser of an optical tweezer to give an optical kick to an atom to send it to a target, then caught the flying atom with another optical tweezer to stop it. The atom flew at a speed of 65 cm/s, and traveled up to 4.2 μm. Compared to the existing technique of guiding the atoms with the optical tweezers, the technique of throwing and receiving atoms eliminates the need to calculate the transporting path for the tweezers, and makes it easier to fix the defects in the atomic arrangement. As a result, it is effective in generating and maintaining a large number of atomic arrangements, and when the technology is used to throw and receive flying atom qubits, it will be used in studying new and more powerful quantum computing methods that presupposes the structural changes in quantum arrangements.
"This technology will be used to develop larger and more powerful Rydberg quantum computers," says Professor Jaewook Ahn. “In a Rydberg quantum computer,” he continues, “atoms are arranged to store quantum information and interact with neighboring atoms through electromagnetic forces to perform quantum computing. The method of throwing an atom away for quick reconstruction the quantum array can be an effective way to fix an error in a quantum computer that requires a removal or replacement of an atom.”
The research, which was conducted by doctoral students Hansub Hwang and Andrew Byun of the Department of Physics at KAIST and Sylvain de Léséleuc, a researcher at the National Institute of Natural Sciences in Japan, was published in the international journal, Optica, 0n March 9th. (Paper title: Optical tweezers throw and catch single atoms).
This research was carried out with the support of the Samsung Science & Technology Foundation.
<Figure 1> A schematic diagram of the atom catching and throwing technique. The optical tweezer on the left kicks the atom to throw it into a trajectory to have the tweezer on the right catch it to stop it.
2023.03.28 View 4160 -
KAIST & LG U+ Team Up for Quantum Computing Solution for Ultra-Space 6G Satellite Networking
KAIST quantum computer scientists have optimized ultra-space 6G Low-Earth Orbit (LEO) satellite networking, finding the shortest path to transfer data from a city to another place via multi-satellite hops.
The research team led by Professor June-Koo Kevin Rhee and Professor Dongsu Han in partnership with LG U+ verified the possibility of ultra-performance and precision communication with satellite networks using D-Wave, the first commercialized quantum computer.
Satellite network optimization has remained challenging since the network needs to be reconfigured whenever satellites approach other satellites within the connection range in a three-dimensional space. Moreover, LEO satellites orbiting at 200~2000 km above the Earth change their positions dynamically, whereas Geo-Stationary Orbit (GSO) satellites do not change their positions. Thus, LEO satellite network optimization needs to be solved in real time.
The research groups formulated the problem as a Quadratic Unconstrained Binary Optimization (QUBO) problem and managed to solve the problem, incorporating the connectivity and link distance limits as the constraints.
The proposed optimization algorithm is reported to be much more efficient in terms of hop counts and path length than previously reported studies using classical solutions. These results verify that a satellite network can provide ultra-performance (over 1Gbps user-perceived speed), and ultra-precision (less than 5ms end-to-end latency) network services, which are comparable to terrestrial communication.
Once QUBO is applied, “ultra-space networking” is expected to be realized with 6G. Researchers said that an ultra-space network provides communication services for an object moving at up to 10 km altitude with an extreme speed (~ 1000 km/h). Optimized LEO satellite networks can provide 6G communication services to currently unavailable areas such as air flights and deserts.
Professor Rhee, who is also the CEO of Qunova Computing, noted, “Collaboration with LG U+ was meaningful as we were able to find an industrial application for a quantum computer. We look forward to more quantum application research on real problems such as in communications, drug and material discovery, logistics, and fintech industries.”
2022.06.17 View 6267 -
Quantum Technology: the Next Game Changer?
The 6th KAIST Global Strategy Institute Forum explores how quantum technology has evolved into a new growth engine for the future
The participants of the 6th KAIST Global Strategy Institute (GSI) Forum on April 20 agreed that the emerging technology of quantum computing will be a game changer of the future. As KAIST President Kwang Hyung Lee said in his opening remarks, the future is quantum and that future is rapidly approaching. Keynote speakers and panelists presented their insights on the disruptive innovations we are already experiencing.
The three keynote speakers included Dr. Jerry M. Chow, IBM fellow and director of quantum infrastructure, Professor John Preskill from Caltech, and Professor Jungsang Kim from Duke University. They discussed the academic impact and industrial applications of quantum technology, and its prospects for the future.
Dr. Chow leads IBM Quantum’s hardware system development efforts, focusing on research and system deployment. Professor Preskill is one of the leading quantum information science and quantum computation scholars. He coined the term “quantum supremacy.” Professor Kim is the co-founder and CTO of IonQ Inc., which develops general-purpose trapped ion quantum computers and software to generate, optimize, and execute quantum circuits.
Two leading quantum scholars from KAIST, Professor June-Koo Kevin Rhee and Professor Youngik Sohn, and Professor Andreas Heinrich from the IBS Center for Quantum Nanoscience also participated in the forum as panelists. Professor Rhee is the founder of the nation’s first quantum computing software company and leads the AI Quantum Computing IT Research Center at KAIST.
During the panel session, Professor Rhee said that although it is undeniable the quantum computing will be a game changer, there are several challenges. For instance, the first actual quantum computer is NISQ (Noisy intermediate-scale quantum era), which is still incomplete. However, it is expected to outperform a supercomputer. Until then, it is important to advance the accuracy of quantum computation in order to offer super computation speeds.
Professor Sohn, who worked at PsiQuantum, detailed how quantum computers will affect our society. He said that PsiQuantum is developing silicon photonics that will control photons. We can’t begin to imagine how silicon photonics will transform our society. Things will change slowly but the scale would be massive.
The keynote speakers presented how quantum cryptography communications and its sensing technology will serve as disruptive innovations. Dr. Chow stressed that to realize the potential growth and innovation, additional R&D is needed. More research groups and scholars should be nurtured. Only then will the rich R&D resources be able to create breakthroughs in quantum-related industries. Lastly, the commercialization of quantum computing must be advanced, which will enable the provision of diverse services. In addition, more technological and industrial infrastructure must be built to better accommodate quantum computing.
Professor Preskill believes that quantum computing will benefit humanity. He cited two basic reasons for his optimistic prediction: quantum complexity and quantum error corrections. He explained why quantum computing is so powerful: quantum computer can easily solve the problems classically considered difficult, such as factorization. In addition, quantum computer has the potential to efficiently simulate all of the physical processes taking place in nature.
Despite such dramatic advantages, why does it seem so difficult? Professor Preskill believes this is because we want qubits (quantum bits or ‘qubits’ are the basic unit of quantum information) to interact very strongly with each other. Because computations can fail, we don’t want qubits to interact with the environment unless we can control and predict them.
As for quantum computing in the NISQ era, he said that NISQ will be an exciting tool for exploring physics. Professor Preskill does not believe that NISQ will change the world alone, rather it is a step forward toward more powerful quantum technologies in the future. He added that a potentially transformable, scalable quantum computer could still be decades away.
Professor Preskill said that a large number of qubits, higher accuracy, and better quality will require a significant investment. He said if we expand with better ideas, we can make a better system. In the longer term, quantum technology will bring significant benefits to the technological sectors and society in the fields of materials, physics, chemistry, and energy production.
Professor Kim from Duke University presented on the practical applications of quantum computing, especially in the startup environment. He said that although there is no right answer for the early applications of quantum computing, developing new approaches to solve difficult problems and raising the accessibility of the technology will be important for ensuring the growth of technology-based startups.
2022.04.21 View 8338 -
Professor June-Koo Rhee’s Team Wins the QHack Open Hackathon Science Challenge
The research team consisting of three master students Ju-Young Ryu, Jeung-rak Lee, and Eyel Elala in Professor June-Koo Rhee’s group from the KAIST IRTC of Quantum Computing for AI has won the first place at the QHack 2022 Open Hackathon Science Challenge.
The QHack 2022 Open Hackathon is one of the world’s prestigious quantum software hackathon events held by US Xanadu, in which 250 people from 100 countries participate. Major sponsors such as IBM Quantum, AWS, CERN QTI, and Google Quantum AI proposed challenging problems, and a winning team is selected judged on team projects in each of the 13 challenges.
The KAIST team supervised by Professor Rhee received the First Place prize on the Science Challenge which was organized by the CERN QTI of the European Communities. The team will be awarded an opportunity to tour CERN’s research lab in Europe for one week along with an online internship.
The students on the team presented a method for “Leaning Based Error Mitigation for VQE,” in which they implemented an LBEM protocol to lower the error in quantum computing, and leveraged the protocol in the VQU algorithm which is used to calculate the ground state energy of a given molecule.
Their research successfully demonstrated the ability to effectively mitigate the error in IBM Quantum hardware and the virtual error model. In conjunction, Professor June-Koo (Kevin) Rhee founded a quantum computing venture start-up, Qunova Computing(https://qunovacomputing.com), with technology tranfer from the KAIST ITRC of Quantum Computing for AI. Qunova Computing is one of the frontier of the quantum software industry in Korea.
2022.04.08 View 4741 -
Quantum Emitters: Beyond Crystal Clear to Single-Photon Pure
‘Nanoscale Focus Pinspot’ can quench only the background noise without changing the optical properties of the quantum emitter and the built-in photonic structure
Photons, fundamental particles of light, are carrying these words to your eyes via the light from your computer screen or phone. Photons play a key role in the next-generation quantum information technology, such as quantum computing and communications. A quantum emitter, capable of producing a single, pure photon, is the crux of such technology but has many issues that have yet to be solved, according to KAIST researchers.
A research team under Professor Yong-Hoon Cho has developed a technique that can isolate the desired quality emitter by reducing the noise surrounding the target with what they have dubbed a ‘nanoscale focus pinspot.’ They published their results on June 24 in ACS Nano.
“The nanoscale focus pinspot is a structurally nondestructive technique under an extremely low dose ion beam and is generally applicable for various platforms to improve their single-photon purity while retaining the integrated photonic structures,” said lead author Yong-Hoon Cho from the Department of Physics at KAIST.
To produce single photons from solid state materials, the researchers used wide-bandgap semiconductor quantum dots — fabricated nanoparticles with specialized potential properties, such as the ability to directly inject current into a small chip and to operate at room temperature for practical applications. By making a quantum dot in a photonic structure that propagates light, and then irradiating it with helium ions, researchers theorized that they could develop a quantum emitter that could reduce the unwanted noisy background and produce a single, pure photon on demand.
Professor Cho explained, “Despite its high resolution and versatility, a focused ion beam typically suppresses the optical properties around the bombarded area due to the accelerated ion beam’s high momentum. We focused on the fact that, if the focused ion beam is well controlled, only the background noise can be selectively quenched with high spatial resolution without destroying the structure.”
In other words, the researchers focused the ion beam on a mere pin prick, effectively cutting off the interactions around the quantum dot and removing the physical properties that could negatively interact with and degrade the photon purity emitted from the quantum dot.
“It is the first developed technique that can quench the background noise without changing the optical properties of the quantum emitter and the built-in photonic structure,” Professor Cho asserted.
Professor Cho compared it to stimulated emission depletion microscopy, a technique used to decrease the light around the area of focus, but leaving the focal point illuminated. The result is increased resolution of the desired visual target.
“By adjusting the focused ion beam-irradiated region, we can select the target emitter with nanoscale resolution by quenching the surrounding emitter,” Professor Cho said. “This nanoscale selective-quenching technique can be applied to various material and structural platforms and further extended for applications such as optical memory and high-resolution micro displays.” Korea’s National Research Foundation and the Samsung Science and Technology Foundation supported this work.
-PublicationMinho Choi, Seongmoon Jun, and Yong-Hoon Cho et al. ACS Nano‘Nanoscale Focus Pinspot for High-Purity Quantum Emitters via Focused-Ion-Beam-Induced Luminescence Quenching,’(https://pubs.acs.org/doi/10.1021/acsnano.1c00587)
-ProfileProfessor Yong-Hoon ChoQuantum & Nanobio Photonics Laboratoryhttp://qnp.kaist.ac.kr/
Department of PhysicsKAIST
2021.09.02 View 8189 -
Professor Heung-Sun Sim the MSIT Scientist of July
Professor Heung-Sun Sim from the Department of Physics was selected as the Scientist of July by the Ministry of Science and ICT. Professor Sim was recognized for his research of the Kondo effect, which opened a novel way to engineer spin screening and entanglement by directly observing a quantum phenomenon known as a Kondo screening cloud. His research revealed that the cloud can mediate interactions between distant spins confined in quantum dots, which is a necessary protocol for semiconductor spin-based quantum information processing. This phenomenon is essentially a cloud that masks magnetic impurities in a material. It was known to exist but its spatial extension had never been observed, creating controversy over whether such an extension actually existed. The research was reported in Nature in March 2020. With this award, Professor Sim received 10 million KRW in prize money.
2021.07.12 View 5907 -
Quantum Laser Turns Energy Loss into Gain
A new laser that generates quantum particles can recycle lost energy for highly efficient, low threshold laser applications
Scientists at KAIST have fabricated a laser system that generates highly interactive quantum particles at room temperature. Their findings, published in the journal Nature Photonics, could lead to a single microcavity laser system that requires lower threshold energy as its energy loss increases.
The system, developed by KAIST physicist Yong-Hoon Cho and colleagues, involves shining light through a single hexagonal-shaped microcavity treated with a loss-modulated silicon nitride substrate. The system design leads to the generation of a polariton laser at room temperature, which is exciting because this usually requires cryogenic temperatures.
The researchers found another unique and counter-intuitive feature of this design. Normally, energy is lost during laser operation. But in this system, as energy loss increased, the amount of energy needed to induce lasing decreased. Exploiting this phenomenon could lead to the development of high efficiency, low threshold lasers for future quantum optical devices.
“This system applies a concept of quantum physics known as parity-time reversal symmetry,” explains Professor Cho. “This is an important platform that allows energy loss to be used as gain. It can be used to reduce laser threshold energy for classical optical devices and sensors, as well as quantum devices and controlling the direction of light.”
The key is the design and materials. The hexagonal microcavity divides light particles into two different modes: one that passes through the upward-facing triangle of the hexagon and another that passes through its downward-facing triangle. Both modes of light particles have the same energy and path but don’t interact with each other.
However, the light particles do interact with other particles called excitons, provided by the hexagonal microcavity, which is made of semiconductors. This interaction leads to the generation of new quantum particles called polaritons that then interact with each other to generate the polariton laser. By controlling the degree of loss between the microcavity and the semiconductor substrate, an intriguing phenomenon arises, with the threshold energy becoming smaller as energy loss increases. This research was supported by the Samsung Science and Technology Foundation and Korea’s National Research Foundation.
-PublicationSong,H.G, Choi, M, Woo, K.Y. Yong-Hoon Cho Room-temperature polaritonic non-Hermitian system with single microcavityNature Photonics (https://doi.org/10.1038/s41566-021-00820-z)
-ProfileProfessor Yong-Hoon ChoQuantum & Nanobio Photonics Laboratoryhttp://qnp.kaist.ac.kr/
Department of PhysicsKAIST
2021.07.07 View 8333 -
Defining the Hund Physics Landscape of Two-Orbital Systems
Researchers identify exotic metals in unexpected quantum systems
Electrons are ubiquitous among atoms, subatomic tokens of energy that can independently change how a system behaves—but they also can change each other. An international research collaboration found that collectively measuring electrons revealed unique and unanticipated findings. The researchers published their results on May 17 in Physical Review Letters.
“It is not feasible to obtain the solution just by tracing the behavior of each individual electron,” said paper author Myung Joon Han, professor of physics at KAIST. “Instead, one should describe or track all the entangled electrons at once. This requires a clever way of treating this entanglement.”
Professor Han and the researchers used a recently developed “many-particle” theory to account for the entangled nature of electrons in solids, which approximates how electrons locally interact with one another to predict their global activity.
Through this approach, the researchers examined systems with two orbitals — the space in which electrons can inhabit. They found that the electrons locked into parallel arrangements within atom sites in solids. This phenomenon, known as Hund’s coupling, results in a Hund’s metal. This metallic phase, which can give rise to such properties as superconductivity, was thought only to exist in three-orbital systems.
“Our finding overturns a conventional viewpoint that at least three orbitals are needed for Hund’s metallicity to emerge,” Professor Han said, noting that two-orbital systems have not been a focus of attention for many physicists. “In addition to this finding of a Hund’s metal, we identified various metallic regimes that can naturally occur in generic, correlated electron materials.”
The researchers found four different correlated metals. One stems from the proximity to a Mott insulator, a state of a solid material that should be conductive but actually prevents conduction due to how the electrons interact. The other three metals form as electrons align their magnetic moments — or phases of producing a magnetic field — at various distances from the Mott insulator. Beyond identifying the metal phases, the researchers also suggested classification criteria to define each metal phase in other systems.
“This research will help scientists better characterize and understand the deeper nature of so-called ‘strongly correlated materials,’ in which the standard theory of solids breaks down due to the presence of strong Coulomb interactions between electrons,” Professor Han said, referring to the force with which the electrons attract or repel each other. These interactions are not typically present in solid materials but appear in materials with metallic phases.
The revelation of metals in two-orbital systems and the ability to determine whole system electron behavior could lead to even more discoveries, according to Professor Han.
“This will ultimately enable us to manipulate and control a variety of electron correlation phenomena,” Professor Han said.
Co-authors include Siheon Ryee from KAIST and Sangkook Choi from the Condensed Matter Physics and Materials Science Department, Brookhaven National Laboratory in the United States. Korea’s National Research Foundation and the U.S. Department of Energy’s (DOE) Office of Science, Basic Energy Sciences, supported this work.
-PublicationSiheon Ryee, Myung Joon Han, and SangKook Choi, 2021.Hund Physics Landscape of Two-Orbital Systems, Physical Review Letters, DOI: 10.1103/PhysRevLett.126.206401
-ProfileProfessor Myung Joon HanDepartment of PhysicsCollege of Natural ScienceKAIST
2021.06.17 View 6983 -
Extremely Stable Perovskite Nanoparticles Films for Next-Generation Displays
Researchers have reported an extremely stable cross-linked perovskite nanoparticle that maintains a high photoluminescence quantum yield (PLQY) for 1.5 years in air and harsh liquid environments. This stable material’s design strategies, which addressed one of the most critical problems limiting their practical application, provide a breakthrough for the commercialization of perovskite nanoparticles in next-generation displays and bio-related applications.
According to the research team led by Professor Byeong-Soo Bae, their development can survive in severe environments such as water, various polar solvents, and high temperature with high humidity without additional encapsulation. This development is expected to enable perovskite nanoparticles to be applied to high color purity display applications as a practical color converting material. This result was published as the inside front cover article in Advanced Materials.
Perovskites, which consist of organics, metals, and halogen elements, have emerged as key elements in various optoelectronic applications. The power conversion efficiency of photovoltaic cells based on perovskites light absorbers has been rapidly increased. Perovskites are also great promise as a light emitter in display applications because of their low material cost, facile wavelength tunability, high (PLQY), very narrow emission band width, and wider color gamut than inorganic semiconducting nanocrystals and organic emitters. Thanks to these advantages, perovskites have been identified as a key color-converting material for next-generation high color-purity displays. In particular, perovskites are the only luminescence material that meets Rec. 2020 which is a new color standard in display industry.
However, perovskites are very unstable against heat, moisture, and light, which makes them almost impossible to use in practical applications. To solve these problems, many researchers have attempted to physically prevent perovskites from coming into contact with water molecules by passivating the perovskite grain and nanoparticle surfaces with organic ligands or inorganic shell materials, or by fabricating perovskite-polymer nanocomposites. These methods require complex processes and have limited stability in ambient air and water. Furthermore, stable perovskite nanoparticles in the various chemical environments and high temperatures with high humidity have not been reported yet.
The research team in collaboration with Seoul National University develops siloxane-encapsulated perovskite nanoparticle composite films. Here, perovskite nanoparticles are chemically crosslinked with thermally stable siloxane molecules, thereby significantly improving the stability of the perovskite nanoparticles without the need for any additional protecting layer.
Siloxane-encapsulated perovskite nanoparticle composite films exhibited a high PLQY (> 70%) value, which can be maintained over 600 days in water, various chemicals (alcohol, strong acidic and basic solutions), and high temperatures with high humidity (85℃/85%). The research team investigated the mechanisms impacting the chemical crosslinking and water molecule-induced stabilization of perovskite nanoparticles through various photo-physical analysis and density-functional theory calculation.
The research team confirmed that displays based on their siloxane-perovskite nanoparticle composite films exhibited higher PLQY and a wider color gamut than those of Cd-based quantum dots and demonstrated perfect color converting properties on commercial mobile phone screens. Unlike what was commonly believed in the halide perovskite field, the composite films showed excellent bio-compatibility because the siloxane matrix prevents the toxicity of Pb in perovskite nanoparticle.
By using this technology, the instability of perovskite materials, which is the biggest challenge for practical applications, is greatly improved through simple encapsulation method.
“Perovskite nanoparticle is the only photoluminescent material that can meet the next generation display color standard. Nevertheless, there has been reluctant to commercialize it due to its moisture vulnerability. The newly developed siloxane encapsulation technology will trigger more research on perovskite nanoparticles as color conversion materials and will accelerate early commercialization,” Professor Bae said.
This work was supported by the Wearable Platform Materials Technology Center (WMC) of the Engineering Research Center (ERC) Project, and the Leadership Research Program funded by the National Research Foundation of Korea.
-Publication:
Junho Jang, Young-Hoon Kim, Sunjoon Park, Dongsuk Yoo, Hyunjin Cho, Jinhyeong Jang, Han Beom Jeong, Hyunhwan Lee, Jong Min Yuk, Chan Beum Park, Duk Young Jeon, Yong-Hyun Kim, Byeong-Soo Bae, and Tae-Woo Lee. “Extremely Stable Luminescent Crosslinked Perovskite Nanoparticles under Harsh Environments over 1.5 Years” Advanced Materials, 2020, 2005255. https://doi.org/10.1002/adma.202005255.
Link to download the full-text paper:
https://onlinelibrary.wiley.com/doi/10.1002/adma.202005255
-Profile: Prof. Byeong-Soo Bae (Corresponding author)
bsbae@kaist.ac.kr
Lab. of Optical Materials & Coating
Department of Materials Science and Engineering
Korea Advanced Institute of Science and Technology (KAIST)
2020.12.29 View 10984 -
KAIST Joins IBM Q Network to Accelerate Quantum Computing Research and Foster Quantum Industry
KAIST has joined the IBM Q Network, a community of Fortune 500 companies, academic institutions, startups, and research labs working with IBM to advance quantum computing for business and science.
As the IBM Q Network’s first academic partner in Korea, KAIST will use IBM's advanced quantum computing systems to carry out research projects that advance quantum information science and explore early applications. KAIST will also utilize IBM Quantum resources for talent training and education in preparation for building a quantum workforce for the quantum computing era that will bring huge changes to science and business. By joining the network, KAIST will take a leading role in fostering the ecosystem of quantum computing in Korea, which is expected to be a necessary enabler to realize the Fourth Industrial Revolution.
Professor June-Koo Rhee who also serves as Director of the KAIST Information Technology Research Center (ITRC) of Quantum Computing for AI has led the agreement on KAIST’s joining the IBM Q Network. Director Rhee described quantum computing as "a new technology that can calculate mathematical challenges at very high speed and low power” and also as “one that will change the future.”
Director Rhee said, “Korea started investment in quantum computing relatively late, and thus requires to take bold steps with innovative R&D strategies to pave the roadmap for the next technological leap in the field”. With KAIST joining the IBM Q Network, “Korea will be better equipped to establish a quantum industry, an important foundation for securing national competitiveness,” he added.
The KAIST ITRC of Quantum Computing for AI has been using the publicly available IBM Quantum Experience delivered over the IBM Cloud for research, development and training of quantum algorithms such as quantum artificial intelligence, quantum chemical calculation, and quantum computing education.
KAIST will have access to the most advanced IBM Quantum systems to explore practical research and experiments such as diagnosis of diseases based on quantum artificial intelligence, quantum computational chemistry, and quantum machine learning technology. In addition, knowledge exchanges and sharing with overseas universities and companies under the IBM Q Network will help KAIST strengthen the global presence of Korean technology in quantum computing.
About IBM Quantum
IBM Quantum is an industry-first initiative to build quantum systems for business and science applications. For more information about IBM's quantum computing efforts, please visit www.ibm.com/ibmq.
For more information about the IBM Q Network, as well as a full list of all partners, members, and hubs, visit https://www.research.ibm.com/ibm-q/network/
©Thumbnail Image: IBM.
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2020.09.29 View 7635 -
Quantum Classifiers with Tailored Quantum Kernel
Quantum information scientists have introduced a new method for machine learning classifications in quantum computing. The non-linear quantum kernels in a quantum binary classifier provide new insights for improving the accuracy of quantum machine learning, deemed able to outperform the current AI technology.
The research team led by Professor June-Koo Kevin Rhee from the School of Electrical Engineering, proposed a quantum classifier based on quantum state fidelity by using a different initial state and replacing the Hadamard classification with a swap test. Unlike the conventional approach, this method is expected to significantly enhance the classification tasks when the training dataset is small, by exploiting the quantum advantage in finding non-linear features in a large feature space.
Quantum machine learning holds promise as one of the imperative applications for quantum computing. In machine learning, one fundamental problem for a wide range of applications is classification, a task needed for recognizing patterns in labeled training data in order to assign a label to new, previously unseen data; and the kernel method has been an invaluable classification tool for identifying non-linear relationships in complex data.
More recently, the kernel method has been introduced in quantum machine learning with great success. The ability of quantum computers to efficiently access and manipulate data in the quantum feature space can open opportunities for quantum techniques to enhance various existing machine learning methods.
The idea of the classification algorithm with a nonlinear kernel is that given a quantum test state, the protocol calculates the weighted power sum of the fidelities of quantum data in quantum parallel via a swap-test circuit followed by two single-qubit measurements (see Figure 1). This requires only a small number of quantum data operations regardless of the size of data. The novelty of this approach lies in the fact that labeled training data can be densely packed into a quantum state and then compared to the test data.
The KAIST team, in collaboration with researchers from the University of KwaZulu-Natal (UKZN) in South Africa and Data Cybernetics in Germany, has further advanced the rapidly evolving field of quantum machine learning by introducing quantum classifiers with tailored quantum kernels.This study was reported at npj Quantum Information in May.
The input data is either represented by classical data via a quantum feature map or intrinsic quantum data, and the classification is based on the kernel function that measures the closeness of the test data to training data.
Dr. Daniel Park at KAIST, one of the lead authors of this research, said that the quantum kernel can be tailored systematically to an arbitrary power sum, which makes it an excellent candidate for real-world applications.
Professor Rhee said that quantum forking, a technique that was invented by the team previously, makes it possible to start the protocol from scratch, even when all the labeled training data and the test data are independently encoded in separate qubits.
Professor Francesco Petruccione from UKZN explained, “The state fidelity of two quantum states includes the imaginary parts of the probability amplitudes, which enables use of the full quantum feature space.”
To demonstrate the usefulness of the classification protocol, Carsten Blank from Data Cybernetics implemented the classifier and compared classical simulations using the five-qubit IBM quantum computer that is freely available to public users via cloud service. “This is a promising sign that the field is progressing,” Blank noted.
Link to download the full-text paper:
https://www.nature.com/articles/s41534-020-0272-6
-Profile
Professor June-Koo Kevin Rhee
rhee.jk@kaist.ac.kr
Professor, School of Electrical Engineering
Director, ITRC of Quantum Computing for AIKAIST
Daniel Kyungdeock Parkkpark10@kaist.ac.krResearch Assistant ProfessorSchool of Electrical EngineeringKAIST
2020.07.07 View 10329