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• Quantum Many-Body Dynamics in Optomechanical Arrays
  We study the nonlinear driven dissipative quantum dynamics of an array of optomechanical systems. At each site of such an array, a localized mechanical mode interacts with a laser-driven cavity mode via radiation pressure, and both photons and phonons can hop …
  openalex Max Ludwig, Florian Marquardt 2013-08-16 置信度 0.72 PhysicsAnsatzQuantumDissipative systemOptomechanics
• DFT Exchange: Sharing Perspectives on the Workhorse of Quantum Chemistry and Materials Science
  In this paper, the history, present status, and future of density-functional theory (DFT) is informally reviewed and discussed by 70 workers in the field, including molecular scientists, materials scientists, method developers and practitioners. The format of …
  openalex Andrew M. Teale, Trygve Helgaker, Andreas Savin, Carlo Adamo 等 2022-06-17 置信度 0.72 Snapshot (computer storage)Density functional theoryComputer scienceField (mathematics)Chemistry
• Composite material made of plasmonic nanoshells with quantum dot cores: loss-compensation and ε-near-zero physical properties
  A theoretical investigation of loss-compensation capabilities in composite materials made of plasmonic nanoshells is carried out by considering quantum dots (QDs) as the nanoshells' cores. The QD and metal permittivities are modeled according to published expe…
  openalex Salvatore Campione, Filippo Capolino 2012-05-17 置信度 0.72 NanoshellMetamaterialMaterials scienceHomogenization (climate)Plasmon
• Quantum Computer Systems for Scientific Discovery
  The great promise of quantum computers comes with the dual challenges of building them and finding their useful applications. We argue that these two challenges should be considered together, by codesigning full-stack quantum computer systems along with their …
  openalex Yuri Alexeev, Dave Bacon, Kenneth R. Brown, Robert Calderbank 等 2021-02-24 置信度 0.72 LicenseComputer scienceQuantum computerCitationContext (archaeology)
• Dynamics of quantum materials at the nanoscale
  Programming the properties of quantum materials on demand is a central goal of condensed matter physics with the potential to usher in a new technological era. Photoexcitation has proven to be an exceptionally capable means of resonant and non-resonant control…
  openalex Aaron Sternbach 2020-01-01 置信度 0.72 Dynamics (music)Nanoscopic scaleQuantumScale (ratio)Physics
• Permanent dipole moment and charges in colloidal semiconductor quantum dots
  The presence of a large permanent dipole moment has important implications on our understanding of nanocrystalline materials. We report the results of dielectric dispersion studies of CdSe, ZnSe, and metal nanocrystals. Due to the polar nature of the wurtzite …
  openalex Moonsub Shim, Philippe Guyot‐Sionnest 1999-10-15 置信度 0.72 Wurtzite crystal structureDipoleCondensed matter physicsNanocrystalline materialDielectric
• Towards exact molecular dynamics simulations with machine-learned force fields
  Molecular dynamics (MD) simulations employing classical force fields constitute the cornerstone of contemporary atomistic modeling in chemistry, biology, and materials science. However, the predictive power of these simulations is only as good as the underlyin…
  openalex Stefan Chmiela, Huziel E. Sauceda, Klaus-Robert Müller, Alexandre Tkatchenko 2018-09-18 置信度 0.72 Molecular dynamicsForce field (fiction)Statistical physicsPhysicsInteratomic potential
• Dielectric confinement effect on excitons in PbI4 -based layered semiconductors
  By varying the dielectric environment in new ${\mathrm{PbI}}_{4}$-based layer-type perovskite compounds, we have demonstrated directly the contribution by dielectric confinement to the exciton binding energy in three such ``natural-quantum-well'' semiconductor…
  openalex X. Hong, Teruya Ishihara, A. V. Nurmikko 1992-03-15 置信度 0.72 ExcitonQuantum dotDielectricBohr radiusCondensed matter physics
• Silicon quantum dot superlattices: Modeling of energy bands, densities of states, and mobilities for silicon tandem solar cell applications
  Quantum dot superlattices offer prospects for new generations of semiconductor devices. One possible recently suggested application is in tandem solar cells based entirely on silicon, using confinement in the quantum dot to control the cell band gap. In this p…
  openalex Chu-Wei Jiang, Martin A. Green 2006-06-01 置信度 0.72 Quantum dotSuperlatticeSiliconMultiple exciton generationEffective mass (spring–mass system)
• Efficient green light-emitting diodes based on quasi-two-dimensional composition and phase engineered perovskite with surface passivation
  Abstract Perovskite light-emitting diodes (LEDs) are attracting great attention due to their efficient and narrow emission. Quasi-two-dimensional perovskites with Ruddlesden–Popper-type layered structures can enlarge exciton binding energy and confine charge c…
  openalex Xiaolei Yang, Xingwang Zhang, Jinxiang Deng, Zema Chu 等 2018-02-02 置信度 0.72 PassivationLight-emitting diodePerovskite (structure)Materials scienceTrioctylphosphine oxide
• Femtosecond spectroscopy in semiconductors: a key to coherences, correlations and quantum kinetics
  The application of femtosecond spectroscopy to the study of ultrafast dynamics in semiconductor materials and nanostructures is reviewed with particular emphasis on the physics that can be learned from it. Excitation with ultrashort optical pulses in general r…
  openalex V. M. Axt, T. Kühn 2004-03-04 置信度 0.72 PhysicsFemtosecondCoherence (philosophical gambling strategy)ExcitationSpectroscopy
• Photoluminescence quantum yield of pure and molecularly doped organic solid films
  We present measurements of the absolute photoluminescence (PL) quantum yield, φPL, for a wide variety of organic compounds in solid films, pure and molecularly doped with strongly fluorescent materials. The procedure, which uses an integrating sphere, does not…
  openalex Hedi Mattoussi, Hideyuki Murata, Charles D. Merritt, Yasuhiro Iizumi 等 1999-09-01 置信度 0.72 RubrenePhotoluminescenceQuantum yieldMaterials scienceDoping
• The Computational Materials Repository
  The possibilities for designing new materials based on quantum physics calculations are rapidly growing, but these design efforts lead to a significant increase in the amount of computational data created. The Computational Materials Repository (CMR) addresses…
  openalex David D. Landis, Jens S. Hummelshøj, Svetlozar Nestorov, Jeff Greeley 等 2012-02-01 置信度 0.72 Computer science
• High-performance uncooled 1.3-μm Al/sub x/Ga/sub y/In/sub 1-x-y/As/InP strained-layer quantum-well lasers for subscriber loop applications
  Design considerations for fabricating highly efficient uncooled semiconductor lasers are discussed. The parameters investigated include the temperature characteristics of threshold current, quantum efficiency, and modulation speed. To prevent carrier overflow …
  openalex Chung-En Zah, R. Bhat, Bhadresh Pathak, F. Favire 等 1994-01-01 置信度 0.72 Quantum wellMaterials scienceOptoelectronicsLaserQuantum dot laser
• Opportunities and challenges for first-principles materials design and applications to Li battery materials
  openalex Gerbrand Ceder 2010-09-01 置信度 0.72 ScalabilityComputer scienceBattery (electricity)Field (mathematics)Throughput
• Commercialize quantum technologies in five years
  openalex Masoud Mohseni, Peter Read, Hartmut Neven, Sergio Boixo 等 2017-03-03 置信度 0.72 QuantumInvestment (military)Set (abstract data type)Political scienceComputer science
• Quantum Logic Gates based on Coherent Electron Transport in Quantum Wires
  It is shown that the universal set of quantum logic gates can be realized using solid-state quantum bits based on coherent electron transport in quantum wires. The elementary quantum bits are realized with a proper design of two quantum wires coupled through a…
  openalex Andrea Bertoni, Paolo Bordone, R. Brunetti, Carlo Jacoboni 等 2000-06-19 置信度 0.72 Controlled NOT gateQuantum gatePhysicsQuantum circuitQuantum mechanics
• A solid-state CdSe quantum dot sensitized solar cell based on a quaterthiophene as a hole transporting material
  A hybrid quantum dot sensitized solar cell (QDSC) composed of CdSe quantum dots (QDs) as light harvesters and TiO(2) and 3,3'''-didodecyl-quaterthiophene (QT12) as electron and hole conductors, respectively, has been fully processed in air. The sensitizer has …
  openalex Irene Barceló, José M. Campiña, Teresa Lana‐Villarreal, Roberto Gómez 2012-01-01 置信度 0.72 Quantum dotNanoporousMaterials scienceAdsorptionSolar cell
• Quantum magnetotransport in massive Dirac materials
  Massive Dirac fermions break the chiral symmetry explicitly and also make the Berry curvature of the band structure non-Abelian. By utilizing the Green's function technique, we develop a microscopic theory to establish a set of quantum diffusive equations for …
  openalex Bo Fu, Huan-Wen Wang, Shun-Qing Shen 2020-03-18 置信度 0.72 Berry connection and curvatureDirac (video compression format)PhysicsCurvatureMagnetoresistance
• Functional Heterointerfaces of Quantum Materials by Design
  The concept of ‘Quantum Materials’, of which the physical properties are beyond a simple description of the laws of classical physics, has been gaining widespread attention across various disciplines in recent years.[1] This area of research encompasses a broa…
  openalex Zhen Huang, Xiao Renshaw Wang, Xiao Renshaw Wang, Shixiong Zhang 等 2023-06-01 置信度 0.72 QuantumMaterials scienceOptoelectronicsPhysicsQuantum mechanics
• Universal Correlation between Fibril Width and Quantum Efficiency in Diketopyrrolopyrrole-Based Polymer Solar Cells
  For a series of six diketopyrrolopyrrole (DPP)-based conjugated polymers, we establish a direct correlation between their external quantum efficiencies (EQE) in organic solar cells and the fibrillar microstructure in the blend. The polymers consist of electron…
  openalex Weiwei Li, Koen H. Hendriks, Alice Furlan, W. S. Christian Roelofs 等 2013-11-27 置信度 0.72 ChemistryPolymerFibrilChemical physicsQuantum
• Quantum-dot nanocrystals for ultrasensitive biological labeling and multicolor optical encoding
  Semiconductor nanoparticles in the size range of 2-6 nm are of great current interest, not only because of their size-tunable properties but also because of their dimensional similarity with biological macromolecules (e.g., nucleic acids and proteins). This si…
  openalex Xiaohu Gao, Warren C. W. Chan, Shuming Nie 2002-01-01 置信度 0.72 Quantum dotBioconjugationNanomaterialsNanotechnologyFluorescence
• Towards an exact description of electronic wavefunctions in real solids
  openalex George H. Booth, Andreas Grüneis, Georg Kresse, Ali Alavi 2012-12-18 置信度 0.72 AnsatzWave functionPauli exclusion principlePhysicsQuantum Monte Carlo
• Experimental identification of quantum spin liquids
  Abstract In condensed matter physics there is a novel phase termed ‘quantum spin liquid’, in which strong quantum fluctuations prevent long-range magnetic order from being estab lished, and so electron spins do not form an ordered pattern but remain liquid-lik…
  openalex Jinsheng Wen, Shun-Li Yu, Shiyan Li, Weiqiang Yu 等 2019-04-05 置信度 0.72 Quantum spin liquidQuantum phasesQuantum entanglementPhysicsSpins
• Nanometer-Scale Resolution of Strain and Interdiffusion in Self-Assembled InAs/GaAs Quantum Dots
  Tomographic nanometer-scale images of self-assembled InAs/GaAs quantum dots have been obtained from surface-sensitive x-ray diffraction. Based on the three-dimensional intensity mapping of selected regions in reciprocal space, the method yields the shape of th…
  openalex I. Kegel, T. H. Metzger, A. Lorke, J. Peisl 等 2000-08-21 置信度 0.72 NanometreReciprocal latticeMaterials scienceQuantum dotDiffraction
• Lightwave-controlled band engineering in quantum materials
  Abstract In recent years, the stacking and twisting of atom-thin structures with matching crystal symmetry has provided a unique handle to create new superlattice structures where new properties emerge1,2. In parallel, control over the temporal characteristics…
  openalex S. Biswas, Sambit Mitra, Alvaro Jimenez-Galan, Marcel Neuhaus 等 2023-04-04 置信度 0.72 QuantumMaterials scienceEngineering physicsPhysicsOptoelectronics
• A stimuli responsive material of perovskite quantum dots composited nano-porous glass
  The water-responsive behavior of the perovskite halides composited porous glass was in situ imaged by a confocal microscope.
  openalex Yu‐Hong Han, Jiayi Sun, Shi Ye, Qinyuan Zhang 2018-01-01 置信度 0.72 Materials sciencePerovskite (structure)PorosityHalideNano-
• Nanocomposite of SnO2 quantum dots and Au nanoparticles as a battery-like supercapacitor electrode material
  openalex Bathula Babu, Jonghoon Kim, Kisoo Yoo 2021-11-22 置信度 0.72 Materials scienceSupercapacitorNanocompositeQuantum dotElectrode
• Quantum scarred eigenstates in a Rydberg atom chain: Entanglement, breakdown of thermalization, and stability to perturbations
  Recent experiments on Rydberg-atom quantum simulators have observed surprising signatures of nonergodic quantum dynamics, which has been attributed to the emergence of ``many-body quantum scars.'' Here, the authors present a detailed study of the eigenstate pr…
  openalex Christopher J. Turner, Alexios A. Michailidis, Dmitry A. Abanin, Maksym Serbyn 等 2018-10-22 置信度 0.72 Quantum entanglementRydberg atomThermalisationPhysicsQuantum
• Developing an improved crystal graph convolutional neural network framework for accelerated materials discovery
  The recently proposed crystal graph convolutional neural network (CGCNN) offers a highly versatile and accurate machine learning (ML) framework by learning material properties directly from graphlike representations of crystal structures (``crystal graphs''). …
  openalex Cheol Woo Park, Chris Wolverton 2020-06-01 置信度 0.72 Convolutional neural networkVoronoi diagramCrystal (programming language)Representation (politics)Graph
• Numerical modeling of triple material gate stack gate all-around (TMGSGAA) MOSFET considering quantum mechanical effects
  openalex B. Padmanaban, R. Ramesh, D. Nirmal, S. Sathiyamoorthy 2015-02-16 置信度 0.72 Stack (abstract data type)MOSFETMaterials scienceQuantumPhysics
• Slow and Fast Light in Semiconductor Quantum-Well and Quantum-Dot Devices
  The ability to manipulate the speed of light has recently become one of the most exciting emergent topics in optics. There are several experimental demonstrations showing the capability to slow down light more than six orders of magnitude in a variety of media…
  openalex Connie J. Chang-Hasnain, Shun Lien Chuang 2006-12-01 置信度 0.72 Optical transistorPhotonicsOptical switchComputer scienceSlow light
• A generative modeling approach for benchmarking and training shallow quantum circuits
  Abstract Hybrid quantum-classical algorithms provide ways to use noisy intermediate-scale quantum computers for practical applications. Expanding the portfolio of such techniques, we propose a quantum circuit learning algorithm that can be used to assist the c…
  openalex Marcello Benedetti, Delfina Garcia-Pintos, Óscar Perdomo, Vicente Leyton‐Ortega 等 2019-05-27 置信度 0.72 Quantum computerComputer scienceQubitQuantum circuitMetric (unit)
• Controlling the state of quantum spins with electric currents
  openalex Sebastian Loth, Kirsten von Bergmann, Markus Ternes, A. F. Otte 等 2010-03-14 置信度 0.72 PhysicsExcited stateSpinsSpin (aerodynamics)Spin engineering
• Assessing Clinical Prospects of Silicon Quantum Dots: Studies in Mice and Monkeys
  Silicon nanocrystals can provide the outstanding imaging capabilities of toxic heavy-metal-based quantum dots without employing heavy metals and have potential for rapid progression to the clinic. Understanding the toxicity of silicon quantum dots (SiQDs) is e…
  openalex Jianwei Liu, Folarin Erogbogbo, Ken‐Tye Yong, Ling Ye 等 2013-07-10 置信度 0.72 ToxicityBiocompatibilitySiliconQuantum dotHistopathology
• Quantum spin mixing in Dirac materials
  Abstract The spin of the electron is nowadays replacing the charge as basic carrier of information not only in spintronics applications, but also in the emerging field of quantum information. Topological quantum materials, where spin-momentum locking is believ…
  openalex Ying‐Jiun Chen, Markus Hoffmann, Bernd Alois Zimmermann, Gustav Bihlmayer 等 2021-08-11 置信度 0.72 Spin engineeringSpintronicsPhysicsQuantum mechanicsQuantum spin Hall effect
• Antenna–load interactions at optical frequencies: impedance matching to quantum systems
  The goal of antenna design at optical frequencies is to deliver optical electromagnetic energy to loads in the form of, e.g., atoms, molecules or nanostructures, or to enhance the radiative emission from such structures, or both. A true optical antenna would, …
  openalex Robert L. Olmon, Markus B. Raschke 2012-10-18 置信度 0.72 Antenna (radio)OptoelectronicsMaterials sciencePhysicsOptics
• Long-lived quantum memory
  openalex Ran Zhao, Y. O. Dudin, S. D. Jenkins, C. J. Campbell 等 2008-12-07 置信度 0.72 PhysicsQuantumCoherence (philosophical gambling strategy)Quantum informationQuantum network
• Wigner Method in Quantum Statistical Mechanics
  The Wigner method of transforming quantum-mechanical operators into their phase-space analogs is reviewed with applications to scattering theory, as well as to descriptions of the equilibrium and dynamical states of many-particle systems. Inclusion of exchange…
  openalex Kaya Ïmre, Ercüment Özïzmïr, M. Rosenbaum, P. F. Zweifel 1967-05-01 置信度 0.72 Quantum statistical mechanicsPhase spaceWigner distribution functionPhysicsClassical mechanics
• Magnetic Ordering in Doped Cd1-xCoxSe Diluted Magnetic Quantum Dots
  In this study, we report structural, vibrational, and magnetic data providing evidence of random ion displacement in the core of CdSe quantum dots on the Cd(2+) sites by Co(2+) ions (between x = 0 and 0.30). Structural evidence for core doping is obtained by a…
  openalex K.M. Hanif, Robert W. Meulenberg, Geoffrey F. Strouse 2002-08-31 置信度 0.72 ChemistrySquidSuperexchangePowder diffractionDoping
• Advances in InGaAs/InP single-photon detector systems for quantum communication
  Single-photon detectors (SPDs) are the most sensitive instruments for light detection. In the near-infrared range, SPDs based on III–V compound semiconductor avalanche photodiodes have been extensively used during the past two decades for diverse applications …
  openalex Jun Zhang, Mark A Itzler, Hugo Zbinden, Jian-Wei Pan 2015-05-08 置信度 0.72 Avalanche photodiodeDetectorSingle-photon avalanche diodeComputer scienceDiode
• Carbon Quantum Dots for Biomedical Applications: Review and Analysis
  Carbon quantum dots (CQDs) are a new type of nano-carbons that are currently favored over semiconductor quantum dots (QDs) because of their solubility, low toxicity, eco-friendliness, and cheap and facile synthesis giving desired optical characteristics. Moreo…
  openalex Nayab Azam, Murtaza Najabat Ali, Tooba Javaid Khan 2021-08-24 置信度 0.72 NanotechnologyQuantum dotCarbon quantum dotsMaterials scienceBiosensor
• Reinforcement Learning in Different Phases of Quantum Control
  New experiments show that reinforcement learning algorithms, a cutting-edge technique for machine learning, can quickly and accurately learn to prepare a desired quantum state despite no knowledge of quantum mechanics.
  openalex Marin Bukov, Alexandre G. R. Day, Dries Sels, Phillip Weinberg 等 2018-09-27 置信度 0.72 Reinforcement learningComputer scienceQuantumState (computer science)Quantum state
• Stability of carbon quantum dots: a critical review
  Carbon quantum dots (CQDs) are fluorescent carbon nanomaterials with unique optical and structural properties that have drawn extensive attention from researchers in the past few decades. Environmental friendliness, biocompatibility and cost effectiveness of C…
  openalex Shweta Dua, Pawan Kumar, Balaram Pani, Amarjeet Kaur 等 2023-01-01 置信度 0.72 Carbon quantum dotsQuantum dotStability (learning theory)Carbon fibersQuantum
• Machine-Learning Guided Quantum Chemical and Molecular Dynamics Calculations to Design Novel Hole-Conducting Organic Materials
  Materials exhibiting higher mobilities than conventional organic semiconducting materials such as fullerenes and fused thiophenes are in high demand for applications such as printed electronics, organic solar cells, and image sensors. In order to discover new …
  openalex Erin Antono, Nobuyuki Matsuzawa, Julia Ling, James E. Saal 等 2020-09-17 置信度 0.72 Quantum chemicalMolecular dynamicsDynamics (music)QuantumChemical physics
• Van der Waals heterostructures
  openalex A. K. Geim, I. V. Grigorieva 2013-07-01 置信度 0.72 Graphenevan der Waals forceHeterojunctionSiliceneNanotechnology
• Synthesis of N, F and S co-doped graphene quantum dots
  Graphene quantum dots (GQDs) are a promising category of materials with remarkable size dependent properties like tunable bandgap and photoluminescence along with the possibility of effective chemical functionalization. Doping of GQDs with heteroatoms is an in…
  openalex Sumana Kundu, Ram Manohar Yadav, Tharangattu N. Narayanan, Manjusha V. Shelke 等 2015-01-01 置信度 0.72 Quantum dotGrapheneDopingNanotechnologyMaterials science
• Engineering of Mixed Host for High External Quantum Efficiency above 25% in Green Thermally Activated Delayed Fluorescence Device
  Highly efficient thermally activated delayed fluorescence (TADF) devices are developed by engineering mixed host materials in the emitting layer. Mixed hosts with deep highest occupied molecular orbital and high singlet energy without any exciplex formation ar…
  openalex Bo Seong Kim, Jun Yeob Lee 2014-03-24 置信度 0.72 Materials scienceCommon emitterOLEDQuantum efficiencyFluorescence
• 5th Anniversary of npj Quantum Materials
  npj Quantum Materials , a joint venture between Nanjing University and Springer Nature, was first published on July 27th, 2016—exactly 5 years ago from today. Establishing a new journal amongst a plethora of existing journals on materials science and condensed…
  openalex Sang‐Wook Cheong 2021-07-27 置信度 0.72 QuantumMaterials scienceTheoretical physicsEngineering physicsNanotechnology
• Carbon Quantum Dots Modified BiOCl Ultrathin Nanosheets with Enhanced Molecular Oxygen Activation Ability for Broad Spectrum Photocatalytic Properties and Mechanism Insight
  In this paper, carbon quantum dots (CQDs) modified BiOCl ultrathin nanosheets photocatalyst was synthesized via a facile solvothermal method. The structures, morphologies, optical properties, and photocatalytic properties were investigated in detail. The photo…
  openalex Jun Di, Jiexiang Xia, Mengxia Ji, Bin Wang 等 2015-09-01 置信度 0.72 Materials sciencePhotocatalysisQuantum dotCarbon quantum dotsNanotechnology
• Tailoring Intermolecular Interactions for Efficient Room‐Temperature Phosphorescence from Purely Organic Materials in Amorphous Polymer Matrices
  Herein we report a rational design strategy for tailoring intermolecular interactions to enhance room-temperature phosphorescence from purely organic materials in amorphous matrices at ambient conditions. The built-in strong halogen and hydrogen bonding betwee…
  openalex Min Sang Kwon, Dong­-Wook Lee, Sungbaek Seo, Jaehun Jung 等 2014-07-14 置信度 0.72 PhosphorescenceIntermolecular forceAmorphous solidVinyl alcoholHydrogen bond
• Excitons in novel quantum materials: a Monte Carlo study
  The exact binding energies of excitons in novel type-II In1-xGaxAs/GaSb1-xAsy quantum well materials in the effective mass model are evaluated by diffusion quantum Monte Carlo simulations. The results support the experimental interpretation that a stable excit…
  openalex Enge Wang 1996-10-03 置信度 0.72 ExcitonQuantum Monte CarloQuantum dotMonte Carlo methodPhysics
• Including crystal structure attributes in machine learning models of formation energies via Voronoi tessellations
  While high-throughput density functional theory (DFT) has become a prevalent tool for materials discovery, it is limited by the relatively large computational cost. In this paper, we explore using DFT data from high-throughput calculations to create faster, su…
  openalex Logan Ward, Ruoqian Liu, Amar Krishna, Vinay I. Hegde 等 2017-07-14 置信度 0.72 Voronoi diagramDensity functional theoryComputer scienceTessellation (computer graphics)Crystal structure prediction
• Spread of Correlations in Long-Range Interacting Quantum Systems
  The nonequilibrium response of a quantum many-body system defines its fundamental transport properties and how initially localized quantum information spreads. However, for long-range-interacting quantum systems little is known. We address this issue by analyz…
  openalex Philipp Hauke, Luca Tagliacozzo 2013-11-12 置信度 0.72 PhysicsQuantum entanglementQuantumRange (aeronautics)Light cone
• Graph neural networks for materials science and chemistry
  Machine learning plays an increasingly important role in many areas of chemistry and materials science, being used to predict materials properties, accelerate simulations, design new structures, and predict synthesis routes of new materials. Graph neural netwo…
  openalex Patrick Reiser, Marlen Neubert, André Eberhard, Luca Torresi 等 2022-11-26 置信度 0.72 Computer scienceGraphRelevance (law)Representation (politics)Data science
• Compatible Instability: Gauge Constraints of Elasticity Inherited by Electronic Nematic Criticality.
  Electronic nematicity is widely observed in quantum materials with varying degrees of electronic correlation, manifesting through charge, spin, orbital, or superconducting degrees of freedom. A phenomenological model capable of describing this broad set of sys…
  pubmed Meese WJ, Fernandes RM 2026 Apr 24 置信度 0.82
• Fluorogenic Aptamer Optimization on a Massively Parallel Sequencing Platform.
  Fluorogenic aptamers (FAPs) are increasingly important tools for cellular sensing and pathogen diagnostics. However, enhancing their performance remains a significant challenge. Here, we introduce a massively parallel approach to optimize the DNA-based FAP Let…
  pubmed Kuo YA, Chen YI, Siraj N, He Y 等 2026 May 22 置信度 0.82
• Benchmarking the Catalytic Performance of Rutile via Crystallinity Engineering in Au/TiO(2)-Catalyzed H(2)O(2) Photogeneration.
  Photocatalytic production of H 2 O 2 is a promising and green alternative to industrial processes. In the last few decades, TiO 2 -based photocatalysts have been extensively explored in reactions, leading to the development of various modification strategies f…
  pubmed Shen J, Wu F, Fan L, Liu M 等 2026 May 28 置信度 0.82
• Re-refinement of the structure of the planar hexagonal phase of ZnO nanocrystals.
  The planar hexagonal phase of ZnO, known as h-ZnO, g-ZnO, α-ZnO, the B k structure, the 5-5 phase, the α-BN phase, etc., has P6 3 /mmc symmetry and is implicated in ferroelectric switching mechanisms for wurtzite-ZnO. It is well known in thin films…
  pubmed Li M, Zhang L, Ren W, Reimers JR 2026 Jun 1 置信度 0.82
• First Access to Tetraazadiindenopyrenes via Selective Pyrrole Cyclization of Phenyl-Substituted Tetraazapyrene Derivatives on Au(111).
  In stark contrast to cyclodehydrogenation (CDH) for constructing graphene nanoribbons through C─C or C─N bond formation, selective pyrrole cyclization via on-surface chemistry remains exceptionally rare and largely unexplored. To the best of our …
  pubmed Kolly I, Navarro-Marín G, Häner R, Decurtins S 等 2026 May 置信度 0.82
• Benchmarking physics-inspired machine learning models for transition metal complexes with diverse charge and spin states.
  Physics-inspired machine learning (ML) models can be categorized into two classes: those relying solely on three-dimensional structure and those incorporating electronic information. In this work, we benchmark both classes for predicting quantum-chemical prope…
  pubmed Cho Y, Briling KR, Calvino Alonso Y, Laplaza R 等 2026 May 20 置信度 0.82
• Photocatalysts for the decarboxylation conversion of C(sp(3))-carboxylic acids: a review.
  C(sp 3 )-carboxylic acids are derived from a broad spectrum of sources and possess excellent biosafety. Its decarboxylation conversion provides an important route for constructing C-H, C[double bond, length as m-dash]C and C-X (X = C, O, and F) bonds. Photocat…
  pubmed Gao C, Zhang J, Li G, Peng H 2026 May 5 置信度 0.82
• Acceptor-driven synergy in dihydropyridine-based compounds reveals giant static and frequency-dependent hyperpolarizabilities: a quantum exploration.
  Dihydropyridine carbonitrile derivatives exhibit strong nonlinear optical (NLO) performance due to efficient charge-transfer properties, making them promising for optical applications. In current study, dihydropyridine carbonitrile based compounds (CTP1-CTP6) …
  pubmed Gull K, Arshad M, Jamal S, Jawaria R 等 2026 May 5 置信度 0.82
• Theoretical study on the influence of different exciton Hamiltonians on the excitation dynamic process of the PE555 complex.
  Photosynthesis initiates at the light harvesting stage, where specific pigment-protein complexes can convert absorbed light energy into electronic excited states. These excited states are transferred to the reaction center, initiating charge separation. Existi…
  pubmed Cui X, Sheng Z, Song W, Zhao D 等 2026 May 5 置信度 0.82
• High-performance 2D MoTe(2)-based photodetectors with superior Vis-NIR detection capability.
  Photodetectors are crucial components for photoelectric conversion in intelligent sensing applications, and their performance can be significantly enhanced by using two-dimensional (2D) materials. In this study, we present a detailed investigation of 2H-MoTe 2…
  pubmed Wang X, Zhou Q, Shen J, Lin L 等 2026 May 5 置信度 0.82
• π-Aggregation-free, fused perylene pentamers: synthesis, narrowband far-red to near-infrared emission, and chiroptical properties.
  Chiral nanographenes have emerged as promising materials for chiral optoelectronics owing to their intrinsic chiroptical properties. However, their development remains constrained by synthetic challenges, strong π-aggregation, and low fluorescence quantu…
  pubmed Zhou Q, Bao LT, Liu R, Sun Z 等 2026 Jun 23 置信度 0.82
• Toward Efficient Hydrogen Storage: A Quantum Chemical Study of Beryllium Clusters.
  The development of lightweight materials capable of reversibly storing hydrogen under practical conditions remains a central challenge for hydrogen-based energy technologies. In this work, a systematic density functional theory (DFT) investigation is carried o…
  pubmed Rahali S, Belhocine Y, Said RB, Mustafa B 2026 May 5 置信度 0.82
• Full Symmetry-Breaking of Electronic and Nuclear Dynamics for Low-Attosecond Resolution of Electronic Chirality.
  Attosecond science is an emerging topic, where chirality plays a central role. Here, we demonstrate subjecting iodoacetylene, a geometrically achiral molecule, to a pair of simulated nonionizing ultrafast circularly polarized laser pulses at the highest time r…
  pubmed Xu T, Kong J, Zhou T, Wang Y 等 2026 May 5 置信度 0.82
• Atomic imaging of air- and electron-beam-sensitive materials by inert-gas-protected cryogenic aberration-corrected TEM.
  pubmed Kaiser U 2026 置信度 0.82
• Compact-Type Quasi-2D Perovskites MAPbBr(3)@FABr: Reduced Interlayer Distances Enable Ultralow Threshold Lasing and High Electron Mobility.
  Quasi-2D perovskites have garnered significant attention as promising materials for laser applications due to their superior optical gain and environmental stability. However, the thick insulating spacer layers between semiconducting perovskite slabs impede ef…
  pubmed Zhang H, Li Y, Qi J, Huang J 等 2026 Jun 置信度 0.82
• Functional Groups Are All You Need for Chemically Interpretable Molecular Property Prediction.
  Molecular property prediction using deep learning (DL) models has accelerated drug and materials discovery, but the resulting DL models often lack interpretability, hindering their adoption by chemists. This work proposes developing molecule representations us…
  pubmed Balaji R, Bobby J, Bhatt NP 2026 May 25 置信度 0.82
• Precision graphene nanoribbons: chemical strategies for tailored edge, backbone, and electronic structure.
  Graphene nanoribbons (GNRs), quasi-one-dimensional graphene nanostructures, are promising candidates for next-generation electronic, optoelectronic, and spintronic applications due to their tunable (opto-)electronic and magnetic properties. The intrinsic prope…
  pubmed Chen X, Qiu Y, Zhang JJ, Liu X 等 2026 May 26 置信度 0.82
• Correction: Decoupling thermoelectric parameters in novel ionic layered materials: a charged monolayer stabilization strategy for enhanced anisotropy.
  Correction for 'Decoupling thermoelectric parameters in novel ionic layered materials: a charged monolayer stabilization strategy for enhanced anisotropy' by Yaobo Li et al. , Mater. Horiz. , 2026, https://doi.org/10.1039/D5MH02247A.
  pubmed Li Y, Pei M, Zuo Z, Xu D 等 2026 May 26 置信度 0.82
• Carbon-Ion Radiation Therapy as Nonsurgical Treatment for Early-Stage Breast Cancer: 5-Year Results From the Phase 2 Part of the First Prospective Clinical Trial.
  To evaluate the long-term efficacy, safety, and cosmetic outcomes of carbon-ion radiation therapy (C-ion RT) as a nonsurgical treatment option for patients with early-stage breast cancer.
  pubmed Okonogi N, Karasawa K, Murata K, Omatsu T 等 2026 Mar 15 置信度 0.82
• [Cd(4)P(2)][I(3)] and [Cd(2)P][CdCl(3)]: two Millon's phase phosphides exhibiting wide band gaps and large birefringence.
  Research on infrared birefringent crystals applicable to the 8-12 μm long-wave infrared region remains extremely scarce to date. Herein, two Millon's phase phosphide infrared birefringent crystals, [Cd 4 P 2 ][I 3 ] and [Cd 2 P][CdCl 3 ], are reported. B…
  pubmed Wang F, Peng G, Ye N, Chen J 2026 May 19 置信度 0.82
• Solution-phase dynamics of DNA-stabilized metal quantum clusters: a chiroptical spectroscopic approach.
  DNA-stabilized metal quantum clusters are an emerging class of atomically precise chiral materials. Despite the inherent chirality and dynamic conformational landscape of DNA, chiroptical properties and structural dynamics of these clusters are poorly known. H…
  pubmed Rajeev N, Sunny M, Kumaranchira Ramankutty K 2026 Jun 4 置信度 0.82
• Homogeneous Au nanoparticles on N-doped graphene directed by NSGQDs for molecularly imprinted electrochemical sensing of adenine.
  The need for sensitive and reliable adenine (Ade) detection in complex biological systems has driven the development of advanced electrochemical sensing platforms. In this work, we developed a molecularly imprinted electrochemical sensor based on a ternary int…
  pubmed Liu T, Li D, Hu W, Neha 等 2026 Jul 置信度 0.82
• Spectroscopic and DFT-based characterization of V(V)-alizarin red S complexes: Structural, optical, and photonic insights.
  In this study, the complexation between vanadium in its pentavalent state (V(V)) and the redox-active anthraquinone dye Alizarin Red S (ARS) was investigated to elucidate its solution speciation and coordination behavior. The V(V):ARS complexes were formed fro…
  pubmed Gülseven Sıdır Y, Justino LLG, Ramos ML, Madeira C 等 2026 Nov 5 置信度 0.82
• A ratiometric fluorescent platform based on nitrogen-doped carbon dots for simultaneous detection and discrimination of chloramphenicol and chlorogenic acid.
  Chloramphenicol (CAP) and chlorogenic acid (CGA) are often co-applied due to their synergistic antibacterial effect, leading to their coexistence in food and environmental samples and raising concerns about potential cumulative risks. Therefore, a method for t…
  pubmed Peng S, Zhang Y, Xiao W, Shi J 等 2026 Nov 5 置信度 0.82
• Matrix-free, color-tunable carbon quantum dots with solid-state emission for white LEDs.
  Solid-state photoluminescence quenching poses a major challenge for carbon quantum dots (CQDs) in optoelectronic applications. This work presents a facile one-step microwave synthesis of self-quenching-resistant, color-tunable CQDs from phloroglucinol and urea…
  pubmed Zaman N, Abbas N, Abbas A, Hussain M 等 2026 置信度 0.82
• Two-color harmonic spectroscopy of ultrafast Dirac electron dynamics.
  High-harmonic generation (HHG), a hallmark of attosecond science, is a nonperturbative nonlinear process in gases and solids. In gases, strong driving fields can deplete the ground state and suppress harmonic emission on the trailing edge of the pulse. Here we…
  pubmed Chen Z, Granados C, Uzner E, Nisim I 等 2026 May 9 置信度 0.82
• Energy extraction from dark Fe(3+) in A(2)Sc(2)B(4)O(11):Fe(3+), Yb(3+) (A = Sr, Ba) toward promoted NIR luminescence and pc-LED light source for multifunctional applications.
  New generation of Cr 3+ -free eco-friendly phosphors (no risk of Cr 3+ → Cr 6+ oxidization toxicity) are highly sought to develop broadband NIR light sources. As an essential element for body health, Fe 3+ ion would be an exceptional alternative in stro…
  pubmed Yu D, Liu H, Lv M, Li B 等 2026 May 9 置信度 0.82
• Freeform optical flow based on meta-conveyors for compact, programmable in situ nanomanipulation.
  Programming light flow offers significant potential for diverse applications. However, conventional spatial light modulators are bulky, have large pixels, and slow switching. Miniaturized metasurface strategies offer flexibility but are limited to radial or az…
  pubmed Li T, Li X, Gao Z, Ng J 等 2026 May 9 置信度 0.82
• Ferroelectric brightening of spin‑forbidden dark excitons in a WSe(2)/hybrid-perovskite heterostructure.
  Long-lived dark excitons in monolayer WSe 2 present promising candidates for carrying spin and valley information, but their optical access and spin manipulation have conventionally required the use of strong external magnetic fields. Here, using a ferroelectr…
  pubmed Wang X, Grzeszczyk M, Trushin M, Verzhbitskiy I 等 2026 May 9 置信度 0.82
• Anisotropic electronic correlations in the spin density wave state of La(3)Ni(2)O(7).
  The bilayer nickelate superconductor La 3 Ni 2 O 7  undergoes a density wave transition near 150 K that has attracted intensive scrutiny, yet its microscopic origin remains elusive. Here we report polarization-resolved electronic Raman scattering measurem…
  pubmed He G, Shen J, Xie S, Zhang H 等 2026 May 9 置信度 0.82
• Nuclear hyperfine interactions in critical metal AlB(2)-structured diborides and correlations to physical properties.
  Nuclear magnetic resonance (NMR) measurements of the hyperfine parameters (quadrupolar, shifts) at the metal and boron sites are reported from an isomorphous set of eleven stable AlB 2 structure-type space group 191 metal diborides, the main group metal dibori…
  pubmed Bastow TJ, Hill AJ, Seeber A, Nairn KM 等 2026 Jun 置信度 0.82
• Dual-interface assembled silanized amide nanoclusters: driving light-carbon synergy to enhance photosynthesis in wheat.
  The low efficiency of light energy utilization and CO 2 fixation restricts C3 crop photosynthesis, presenting a significant challenge for sustainable agricultural development. To alleviate this limitation, we constructed bifunctional silanized amide nanocluste…
  pubmed Shen X, Wang S, Bu F, Chen R 等 2026 Oct 15 置信度 0.82
• Spectroscopy of carotenoid oxidation and flavone derivatives in carrot raw material.
  The processes of complex formation between carotenoids (β-carotene and lutein) and molecular oxygen present in carrot raw materials, followed by the formation of [unclear text] were studied using spectral-quantum-chemical calculations. Complex formation …
  pubmed Astanov SH, Tursunov SU, Kasimova GK, Mukhamadova AB 等 2026 Nov 5 置信度 0.82
• From Mechanism to Catalyst: Integrated Catalysts for Direct Electrosynthesis of Glycine Through an Oxime Pathway.
  The electrocatalytic synthesis of glycine from oxalic acid (H 2 C 2 O 4 ) and hydroxylamine (NH 2 OH) involves a complex multi-step pathway comprising C-N coupling and multi-step selective protonation, making rational catalyst design a major challenge. In this…
  pubmed Zhou Y, Wan C, Min Q, Wu X 等 2026 Jun 22 置信度 0.82
• Reactive machine learning potential for accelerating transition state search in organic synthesis.
  Understanding reaction kinetics is fundamental to organic synthesis, yet traditional quantum chemistry-based transition state searches are computationally expensive. Here we present DeePEST-OS, a reactive machine learning potential designed for rapid and accur…
  pubmed Ren K, Tang K, Zhao Y, Zhang L 等 2026 May 8 置信度 0.82
• Lorentz skew scattering nonreciprocal magneto-transport.
  In materials with broken inversion symmetry, nonreciprocal magneto-transport manifests as a bilinear dependence of charge conductivity on electric and magnetic fields. This phenomenon is rooted in symmetry and electronic quantum geometry and is relevant for re…
  pubmed Lu XF, Zhang XJ, Wang N, Cao J 等 2026 May 8 置信度 0.82
• Atomic dynamics of solid-gas interfaces unveil dual-layer formation and WS(2) nucleation driven by multistep phase-transition.
  Atomic-scale solid-gas interface (SGI) dynamics remain elusive due to transient intermediates, complex interfacial environments, and challenges of real-time characterization. Using an environmental transmission electron microscopy cell as a microreaction chamb…
  pubmed An Q, Zhang X, Fang Y, Zhao W 等 2026 May 8 置信度 0.82
• Speckle-based measurement of the fractional azimuthal index of orbital angular momentum beams for refractive index sensing.
  Light beams possessing orbital angular momentum (OAM) have gained significant interest in areas such as optical manipulation, quantum entanglement, and super-resolved imaging. The OAM per photon of such beams, typically Laguerre-Gaussian beams, is directly pro…
  pubmed Perrella C, Punse AA, Zalogina A, Szydzik C 等 2026 May 8 置信度 0.82
• Magnetic order and excitations in Ce(3)TiBi(5)and Ce(3)ZrBi(5)().
  TheR3MBi5rare-earth intermetallics ( R = rare earth, M = Ti, Zr, Sc) provide a versatile platform to explore how Kondo hybridization, Ruderman-Kittel-Kasuya-Yosida (RKKY) exchange, magnetic frustration, and broken inversion symmetry may cooperate to generate u…
  pubmed Park P, Ma Q, Tian W, Calder S 等 2026 May 28 置信度 0.82
• Unveiling the anharmonic reign: a unified framework for charge density wave transitions in monolayer H-MX(2)(M=Nb,Ta; X=S,Se).
  The disparate charge density wave (CDW) behaviors in isostructural monolayer two-dimensional transition metal dichalcogenides (TMDs) pose a fundamental challenge to a unified understanding. Through ab initio anharmonic phonon analysis of monolayer H-MX₂…
  pubmed Zhang W, Wu J 2026 Jun 2 置信度 0.82
• Nanocorrugation-enabled strong exciton-polariton coupling in MoS(2)dielectric cavities.
  This study investigated exciton-photon coupling in monolayer MoS 2 integrated with a nanocorrugated SiN dielectric cavity, which supports tunable guided-mode resonances near a quasi-bound state in the continuum. The cavity exhibited a high quality-factor ( Q -…
  pubmed Faramarzi V, Hwang MT 2026 May 21 置信度 0.82
• Size selective separation of semiconductor quantum dots.
  The ability to adjust the size, composition, optical behavior and physicochemical properties of quantum dots (QDs) makes them a promising material for use in analysis, photocatalysis, biochemistry, solar cells, and display technologies. However, obtaining mono…
  pubmed Olomskaya VV, Goryacheva OA, Goryacheva IY 2026 置信度 0.82
• Detective quantum efficiency of the Timepix4 hybrid pixel detector and its application to parallel-beam diffraction.
  The detective quantum efficiency (DQE) and normalised noise power spectrum (NNPS) of the Timepix4 hybrid pixel detector in event-driven mode in TEM have been measured at 100 kV and 200 kV. In a raw data readout mode, the zero-frequency DQE exceeds 0.9 at both …
  pubmed Ding Z, Dimova N, Barnard JS, Crevatin G 等 2026 Jul 置信度 0.82
• Unity Quantum Yield of High-Entropy Quantum Dots Composited With Photonic Crystals for Information Encryption.
  The escalating demand for advanced anti-counterfeiting and information encryption technologies has driven the exploration of luminescent materials with high quantum yield, multi-level encoding capability, and long-term stability. This study extends the high-en…
  pubmed Huang M, Tian Z, Xie B, Li H 等 2026 Aug 置信度 0.82
• Ultrafast decoherence in solid-state high-harmonic generation induced by nuclear-electronic entanglement.
  High-harmonic generation (HHG) has provided groundbreaking insights into nonequilibrium dynamics involving strong light-matter interactions. However, intrinsic quantum effects of condensed matter, such as electronic coherence and its interplay with nuclear deg…
  pubmed Hu S, Chen Q, Zhao R, Xu Q 等 2026 May 8 置信度 0.82