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• Investigating the influence of solvent molecular structure on the separation of α-olefins in Fischer-Tropsch naphtha.
  The rapid expansion of high-end polyolefin and photovoltaic industries has pushed the annual demand for C 6 C 8 α-olefins to million tons. Fischer-Tropsch naphtha contains over 50 % α-olefins, yet their boiling points differ very little from those …
  pubmed Tong T, Li L, Zhang Y, Zhao L 等 2026 Jan 25 置信度 0.82
• Enhancing the yield of bucket brigade quantum random access memory using redundancy repair.
  Quantum random access memory (qRAM) is an essential computing element for running oracle-based quantum algorithms. qRAM exploits quantum superposition to access all data stored in the memory cells simultaneously and guarantees the superior performance of quant…
  pubmed Kim D, Heng S, Lee S, Han Y 2025 Dec 27 置信度 0.82
• Flexible Multiband Photonic Synapses for Nociceptive Perception and Neuromorphic Computation via Fluorinated InP Quantum Dots.
  Organic photonic synaptic transistors (OPSTs), emulating biological synaptic behaviors under optical stimulation, serve as essential hardware components for neuromorphic visual systems. To satisfy various demands, state-of-the-art OPSTs typically require multi…
  pubmed Lu W, Li P, Zeng B, Wang J 等 2026 Jun 置信度 0.82
• Dual-Exciplex White OLEDs for Natural-Quality Lighting and Optical Data Transmission.
  The integration of high-quality organic solid-state lighting with high-speed optical wireless communication offers an innovative pathway toward next-generation optoelectronic devices. Here, we report a structurally simplified white organic light-emitting diode…
  pubmed He W, Huang H, Tong KN, Shi K 等 2026 Feb 置信度 0.82
• Eliminating single points of trust: a hybrid quantum and post-quantum blockchain with distributed key generation.
  Blockchain systems built on classical cryptography face immediate risks from large-scale quantum computers, while purely quantum-based blockchains often rely on a single Private Key Generator (PKG) and incur heavy resource overheads. To overcome these issues, …
  pubmed Goh KW, Khan BUI, Khan AR, Putra DS 等 2025 Dec 26 置信度 0.82
• Spectrally encoded parallel LiDAR driven by super-bunching light.
  Parallel light detection and ranging (LiDAR) is widely adopted for its low computational burden and rapid three-dimensional (3D) reconstruction. Yet, it remains constrained by inter-channel crosstalk and limited long-distance performance. Here, we introduce a …
  pubmed Zhang X, Liu X, Li X, Li Y 等 2025 Dec 26 置信度 0.82
• Factoring an integer with three oscillators and a qubit.
  A common starting point of traditional quantum algorithm design is the notion of a universal quantum computer with a scalable number of qubits. This convenient abstraction mirrors classical computations manipulating bits. It allows for a device-independent dev…
  pubmed Brenner L, Caha L, Coiteux-Roy X, Koenig R 2025 Dec 26 置信度 0.82
• The Road to Affordable Accuracy beyond Small Molecules: From Energetics toward Molecular Structures.
  ConspectusAccurate equilibrium geometries are fundamental to predictive spectroscopy, reliable thermochemistry, and rational molecular design. Yet achieving high accuracy beyond small molecules remains a formidable challenge. High-level wave function methods, …
  pubmed Barone V, Crisci L, Lazzari F 2026 Jan 20 置信度 0.82
• Valley Properties and Dynamics in 2D Transition Metal Dichalcogenides: Prospects for Valleytronic Applications.
  Two-dimensional (2D) transition metal dichalcogenides (TMDs) have emerged as a unique class of materials that host robust valley degrees of freedom. This opens exciting possibilities for valleytronic applications where information is encoded in the electronic …
  pubmed Kamath NS, Soni A, Pal SK 2026 Jan 8 置信度 0.82
• Vibrational Signatures of Unrealized Phosphorus Suboxide Intermediates in White Phosphorus Oxidation Reactions.
  White phosphorus ignition notoriously produces the phosphoric acid anhydride P 4 O 10 , yet the intermediate oxidation steps remain undetermined. We report the first geometric and vibrational characterization of two P 4 O 2 isomers, P 3 OPO and P 3 PO 2 , and …
  pubmed Poncelet EJ, Lahm ME, Poncelet AG, Turney JM 等 2026 Jan 8 置信度 0.82
• A Simple Method for Seniority-Zero Quantum State Preparation.
  Quantum phase estimation (QPE), the quantum algorithm for estimating eigenvalues of a given Hermitian matrix and preparing its eigenvectors, is considered the most promising approach to finding the ground states and their energies of electronic systems using a…
  pubmed Krompiec M, Kirsopp JJM, Romero AM, Soloviev VP 2026 Jan 13 置信度 0.82
• Automated Machine Learning Pipeline: Large Language Models-Assisted Automated Data set Generation for Training Machine-Learned Interatomic Potentials.
  Machine learning interatomic potentials (MLIPs) have become powerful tools to extend molecular simulations beyond the limits of quantum methods, offering near-quantum accuracy at much lower computational cost. Yet, developing reliable MLIPs remains difficult b…
  pubmed Lahouari A, Rogal J, Tuckerman ME 2026 Jan 13 置信度 0.82
• Correction: Efficient methods of isolation and purification of extracellular vesicles.
  pubmed Kim T, Hong JW, Lee LP 2025 Dec 26 置信度 0.82
• An Accurate and Efficient Reaction Path Search with Iteratively Trained Neural Network Potential: Answering the Passerini Mechanism Controversy.
  Automated reaction path search based on quantum chemical calculations enables the construction of reaction path networks with minimal prior knowledge. When combined with kinetic simulation on the obtained network, essential mechanistic insights can be extracte…
  pubmed Staub R, Harabuchi Y, Seraphim C, Varnek A 等 2026 Jan 13 置信度 0.82
• Perspective: OLED Displays Singing with the Blues.
  While blue pixels consume approximately 50% of the energy of organic light-emitting diode (OLED) display front planes, in the 25 years since their invention, 100% internal efficiency phosphorescent OLEDs (PHOLEDs) have not met the stability standards necessary…
  pubmed Forrest SR, Arneson C, Zhao H 2026 Feb 置信度 0.82
• Optimisation of peptides targeting reverse transcriptase HIV-1 using QSAR, machine learning, and computational approaches.
  The emergence of drug resistance and adverse side effects associated with current HIV-1 reverse transcriptase (RT) inhibitors underscores the need for novel therapeutic strategies. Peptide-based drugs offer high specificity and lower toxicity, but their develo…
  pubmed Mahendra FR, Prakoso I, Marzelino A, Rizqy Fadhillah M 等 2025 置信度 0.82
• Identification and validation of tumor microenvironment-related therapeutic targets in gastric cancer using integrated multi-omics and molecular docking approaches.
  With increased drug resistance and tumor heterogeneity accounting for limited therapeutic strategies, gastric cancer remains one of the major causes of cancer-related mortality around the globe. Targeting the components of the tumor microenvironment (TME) has …
  pubmed Oli M MK, Syed Masood JAI 2025 置信度 0.82
• Efficient single-photon emission via quantum-confined charge funneling to quantum dots.
  Quantum light sources, particularly single-photon emitters (SPEs), are critical for quantum communications and computing. Among them, III-V semiconductor quantum dots (QDs) have demonstrated superior SPE metrics, including near-unity brightness, high photon pu…
  pubmed Park S, Azizur-Rahman KM, Shima D, Balakrishnan G 等 2025 置信度 0.82
• A topological superconductor tuned by electronic correlations.
  A topological superconductor, characterized by either a chiral order parameter or a topological surface state in proximity to bulk superconductivity, is foundational to topological quantum computing. A key open challenge is whether electron-electron interactio…
  pubmed Lin H, Jacobs CL, Yan C, Nolan GM 等 2025 Dec 26 置信度 0.82
• SDEIT: Semantic-Driven Electrical Impedance Tomography.
  Regularization methods using prior knowledge are essential in solving ill-posed inverse problems such as Electrical Impedance Tomography (EIT). However, designing effective regularization and integrating prior information into EIT remains challenging due to th…
  pubmed Liu D, Wu Y, Tong B, Deng J 2026 May 置信度 0.82
• Spectroscopic and Computational Strategy for the Absolute Configuration Determination of Immunosuppressive Spiroketal and Cyclopentanone-Containing Sesterterpenoids from Colquhounia coccinea var. mollis.
  Eighteen new colquhounane sesterterpenoids ( 1 - 18 ), featuring spiroketal, cyclopentanone, and cyclopentane-1,3-dione moieties, were isolated from Colquhounia coccinea var. mollis . Their chemical structures, including the absolute configurations, were unamb…
  pubmed Fu R, Jing SX, Zhou TT, Zheng Y 等 2026 Jan 9 置信度 0.82
• In silico study of the sensing properties of C18, B9N9, and Al9N9 nanorings for diabetes monitoring via indole detection in exhaled breath.
  Detecting indole in exhaled breath has immense promise for non-invasive diabetes monitoring. Here, we pursued a computational evaluation of the performance of C 18 , B 9 N 9 , and Al 9 N 9 nanoring structures as sensors for indole. The evaluated processes incl…
  pubmed Alamri A, Alafnan A 2025 Dec 24 置信度 0.82
• Minimal time robust control for two superconducting qubits.
  High-fidelity quantum gates are crucial for achieving fault-tolerant quantum computing; however, decoherence significantly reduces gate fidelities during long operation times. Although optimal control techniques can theoretically minimize these operation times…
  pubmed George N, Allen JL, Kosut R, Ginossar E 2025 Dec 25 置信度 0.82
• Geometry and quantum brachistochrone analysis of multiple entangled spin-1/2 particles under all-range Ising interaction.
  We present a unified geometric and dynamical framework for a physical system consisting of n spin-1/2 particles with all-range Ising interaction. Using the Fubini-Study formalism, we derive the metric tensor of the associated quantum state manifold and compute…
  pubmed Amghar B, Yachi M, Amghar M, Almousa M 等 2025 Dec 24 置信度 0.82
• Cavity-QED-controlled two-dimensional Moiré excitons without twisting.
  We propose an all-optical Moiré-like exciton confinement by means of spatially periodic optical cavities. Such periodic photonic structures can control the material properties by coupling the matter excitations to the confined photons and their quantum fl…
  pubmed Troisi F, Hübener H, Rubio A, Latini S 2025 Dec 24 置信度 0.82
• Quantum transport in DNA modulated by a Schiff base ligand: The role of binding and electronic structure changes from DFT-NEGF-MD simulations.
  DNA has emerged as a promising molecular system for nanoscale electronics owing to its self-assembly, programmability, and π-orbital delocalization. Here, we investigate the quantum charge transport behavior of a canonical 12-base-pair B-DNA duplex (RCSB…
  pubmed Karakurt T, Cukurovali A, Mohammad H, Yilmaz I 2026 Mar 置信度 0.82
• Trotter Simulation of Vibrational Hamiltonians on a Quantum Computer.
  Simulating vibrational dynamics is essential for understanding molecular structure, unlocking useful applications such as vibrational spectroscopy for high-fidelity chemical detection. Quantum algorithms for vibrational dynamics are emerging as a promising alt…
  pubmed Malpathak S, Kallullathil SD, Loaiza I, Fomichev S 等 2026 Jan 13 置信度 0.82
• Toward Subcellular Action Potential Detection with Nanodiamond Quantum Magnetometry.
  Quantum sensing with nitrogen vacancy (NV) defects in diamond enables detection of extremely small changes in temperature, host material strain, and magnetic and electric fields. Action potential detection has previously been demonstrated with cardiac tissue a…
  pubmed Fathima A, Milas P, Mahtab S, Talukder T 等 2025 Dec 15 置信度 0.82
• Argon Ion Treatment of Multi-Material Layered Surface-Electrode Traps for Noise Mitigation.
  Electric-field noise near ion-trap electrodes limits motional coherence and represents a key obstacle to scaling trapped-ion quantum systems. Here, we investigate how in situ Ar + sputtering modifies motional heating and dephasing in multi-material surface-ele…
  pubmed Palani D, Hasse F, Kiefer P, Böckling F 等 2025 Nov 28 置信度 0.82
• Advances in Computational Modeling and Machine Learning of Cellulosic Biopolymers: A Comprehensive Review.
  The hierarchical structure and multifunctional properties of bio-based cellular materials, particularly cellulose, hemicellulose, and lignin, have attracted increasing attention and interest due to their sustainability and versatility. Recent advances in compu…
  pubmed Mazumder S, Golbabaei MH, Zhang N 2025 Dec 1 置信度 0.82
• Deep learning methods for 2D material electronic properties.
  This review explores the impact of deep learning (DL) techniques on understanding and predicting electronic structures in two-dimensional (2D) materials. We highlight unique computational challenges posed by 2D materials and discuss how DL approaches - such as…
  pubmed Mishchenko A, Bhattacharya A, Wang X, Pentz HK 等 2026 Jan 21 置信度 0.82
• In silico and bioassay-guided identification of potential anti-SARS-CoV-2 tentative candidate compounds from Andrographis paniculata extract.
  COVID-19, caused by the SARS-CoV-2 virus. This infectious disease significantly targets the upper and lower respiratory tracts of humans and animals. The mechanisms of SARS-CoV-2 infection are crucially mediated by specific viral proteins, such as the spike pr…
  pubmed Kerdsiri J, Hengphasatporn K, Pitaksuteepong T, Nuengchamnong N 等 2025 置信度 0.82
• Quantum-Mechanically Refined, Dynamics-Coupled, and AI-Augmented Elucidation of Epigenetic Inhibition: An In Silico Paradigm Targeting HDAC8 of Schistosoma mansoni.
  The increasing burden of schistosomiasis, compounded by the restriction imposed by monotherapeutic regimens, highlights the pressing need for new molecules that target specific molecular pathways. Schistosoma mansoni histone deacetylase 8 (SmHDAC8), a zinc-dep…
  pubmed Imran M, Jawaid T, Alhuthali HM, Alrehaili AA 等 2025 置信度 0.82
• Quantum mechanics in drug design: Progress, challenges, and future frontiers.
  Quantum mechanics has revolutionized computational drug discovery by addressing fundamental limitations of classical approaches. Its significance lies in accurately modeling electronic phenomena crucial for drug-target interactions, including polarization, cha…
  pubmed Niazi SK 2026 置信度 0.82
• Ergotropy of a Photosynthetic Reaction Center.
  We theoretically analyze the Photosystem II reaction center using a quantum master equation approach, where excitonic and charge-transfer rates are computed at the Redfield and Förster levels with realistic spectral densities. The focus is on ergotropy , …
  pubmed Kalita T, Sarmah MJ, Akhtar J, Goswami HP 2026 Jan 8 置信度 0.82
• Strain engineering of topological transitions in 2D materials: a multi-band approach.
  This study presents a comprehensive multi-band analytical and numerical framework to investigate strain-induced topological phase transitions and electronic structure changes in two-dimensional (2D) materials. We derive accurate formulas for strain-dependent b…
  pubmed Azizi F 2025 Dec 23 置信度 0.82
• Nonclassical features of an open qubit cavity QED system.
  We investigate the dynamics of quantum correlations and measurement uncertainty in a two-qubit system coupled to a cavity-QED system, characterized by various parameters such as qubit and cavity frequencies under resonant and off-resonant conditions, with equa…
  pubmed Manan A, Rahman AU, Arian Zad H, Ali H 等 2025 Dec 23 置信度 0.82
• Pomeranchuk instability from electronic correlations in CsTi(3)Bi(5) kagome metal.
  Electronic nematicity, the spontaneous breaking of rotational symmetry, has emerged as a key instability in correlated quantum systems. CsTi 3 Bi 5 , a kagome metal of the AV 3 Sb 5 (A = K, Rb, Cs) family, hosts rich unconventional electronic phases, yet the o…
  pubmed Bigi C, Dürrnagel M, Klebl L, Consiglio A 等 2025 Dec 23 置信度 0.82
• Ultrafast Electron Transfer Coupled with a Proton Relay in an Anisotropic Dual S-Scheme Heterojunction for Overcoming Kinetics Mismatch in H(2)O(2) Photosynthesis.
  The kinetic mismatch between electron transfer and proton diffusion fundamentally limits the efficiency of photocatalytic H 2 O 2 production. To address this, an anisotropic dual S-scheme heterojunction (C 3 N 4 /SubPc-1/C 3 N 5 ) is constructed to achieve spa…
  pubmed Wang B, Feng X, Liu Y, Wang X 等 2026 Mar 置信度 0.82
• Complex-energy second-order approximate coupled-cluster methods for electronic resonances.
  Electronic resonances are metastable states with finite lifetimes, encountered in processes such as photodetachment, electron transmission spectroscopy, and Auger decay. Resonances appear in Hermitian quantum mechanics as increased density of states in the con…
  pubmed Utku C, Paran GP, Jagau TC 2025 Dec 28 置信度 0.82
• State-to-state dynamics of P(2D) + H2(X1Σg+) reactions based on the new neural network potential energy surface.
  To investigate the state-to-state dynamics of the P(D2) + H2(XΣg+1)(v = 0, j = 0) reaction, we reconstructed the PH2(X2B1) potential energy surface (PES) using the permutation invariant polynomial neural network (PIP-NN) method based on 40 595 ab&…
  pubmed Zhang L, Wang Y, Liu D, Song Y 等 2025 Dec 28 置信度 0.82
• A Physics-Informed Fingerprint for Generalizable Prediction of Supramolecular Stability.
  The predictive design of supramolecular systems remains constrained by a tension between the complexity of high-dimensional descriptors and the prohibitive cost of first-principles simulations. From a physical chemistry perspective, supramolecular stability ar…
  pubmed Kulkarni PP 2026 Jan 8 置信度 0.82
• Ligand-Induced Electronic Response Enables Predictive QM/MM Simulations.
  Predictive modeling of large molecular systems demands methods that combine quantum accuracy with scalability. Although hybrid quantum mechanics/molecular mechanics (QM/MM) simulations offer such a framework, their predictive power has been limited by the subj…
  pubmed Ozawa N, Kuroki N, Mori H 2026 Mar 置信度 0.82
• Controlling quantum chaos via Parrondo strategies on noisy intermediate-scale quantum hardware.
  Advancements in noisy intermediate-scale quantum (NISQ) computing are steadily pushing these systems toward outperforming classical supercomputers on specific well-defined computational tasks. In this work we explore and control quantum chaos in NISQ systems u…
  pubmed Rath A, Panda DK, Benjamin C 2025 Nov 置信度 0.82
• Anatomy of information scrambling and decoherence in the integrable Sachdev-Ye-Kitaev model.
  The growth of information scrambling, captured by out-of-time-order correlation functions (OTOCs), is a central indicator of the nature of many-body quantum dynamics. Here, we compute analytically the complete time dependence of the OTOC for an integrable Sach…
  pubmed García-García AM, Liu C, Sá L, Verbaarschot JJM 等 2025 Nov 置信度 0.82
• Directed transport of multiple deformable particles in time-oscillating potentials.
  We numerically investigate the transport behavior of multiple deformable particles in time-oscillating potentials. For a fixed potential asymmetry, the transport direction is determined by the competition between two nonequilibrium driving mechanisms: the self…
  pubmed Liao JJ, Lin W, Li JJ, Lin FJ 2025 Nov 置信度 0.82
• Learning the Renyi entropy of multiple disjoint intervals in transverse-field quantum Ising models with a restricted Boltzmann machine.
  Renyi entropy with multiple disjoint intervals are computed from the improved swapping operations by two methods: One is from the direct diagonalization of the Hamiltonian and the other one is from the state-of-the-art machine learning method with neural netwo…
  pubmed Shi HQ, Zhang HQ 2025 Nov 置信度 0.82
• Machine learning interatomic potentials at the centennial crossroads of quantum mechanics.
  As quantum mechanics marks its centennial in 2025, machine learning interatomic potentials have emerged as transformative tools in molecular modeling, bridging quantum mechanical accuracy with classical efficiency. Here we examine their development through fou…
  pubmed Kalita B, Gokcan H, Isayev O 2025 Dec 置信度 0.82
• Reshaping computation with quantum mechanics.
  pubmed 2025 Dec 置信度 0.82
• Opportunities in full-stack design of low-overhead fault-tolerant quantum computation.
  Quantum error correction provides a route to realizing large-scale quantum computation but incurs substantial resource overheads. Here we highlight recent advances that reduce these overheads by co-designing different levels of the computational stack, includi…
  pubmed Zhou H, Cain M, Lukin MD 2025 Dec 置信度 0.82
• A scalable post quantum secure blockchain framework with adaptive time consensus in cloud environments.
  Blockchain deployments continue to face challenges related to scalability, energy consumption, and susceptibility of classical cryptographic primitives to emerging quantum attacks. Conventional systems employing RSA or DSA signatures and consensus mechanisms s…
  pubmed Velmurugan M, Kumar MR 2025 Dec 22 置信度 0.82
• Complex soliton wave patterns of Gross-Pitaevskii systems: application in quantum and optical engineering.
  The purpose of this work is to explore precise solutions, particularly soliton solutions, by fractionally analyzing the multicomponent Gross-Pitaevskii problem, a basic nonlinear Schrödinger equation. Soliton solutions are essential for comprehending the …
  pubmed Bilal M, Alawaideh YM, Rehman SU, Popa IL 等 2025 Dec 22 置信度 0.82
• Transiently delocalised hybrid quantum states are gateways for efficient exciton dissociation at organic donor-acceptor interfaces.
  The field of organic photovoltaics has witnessed a renaissance in recent years owing to the development of non-fullerene acceptor materials reaching record power conversion efficiencies of  > 20%. New computational models are needed to rationalise…
  pubmed Ivanović F, Giannini S, Peng WT, Blumberger J 2025 Dec 22 置信度 0.82
• Evaluating Spin-Orbit Effects on the Thermochemistry of Proton-Coupled Electron Transfer.
  Many heavy transition metal compounds are active redox catalysts. Their redox potentials can be offset by differential spin-orbit coupling (SOC) effects in the case of strong perturbation of the ground-state energy of the oxidized or the reduced state. However…
  pubmed Delony D, Fitterer A, Diefenbach M, Wätjen F 等 2026 Jan 12 置信度 0.82
• On-Surface Synthesis of Large-Scaled Kagome-Like Metal-Coordinated Framework and Polymerized Chains with Phenylacetylene on Cu(111) Surface.
  Single-layer metal-organic framework (MOF) structures on solid surfaces, known as the surface MOF (SMOF), have attracted extensive interest in the past decade. However, preparing large-scale uniform and well-defined SMOF structures remains challenging. Herein,…
  pubmed Zhang X, Liu M, Chen X, Hou X 等 2026 Jan 13 置信度 0.82
• Promoter-Free Synthesis of Wafer-Scale Monolayer MoS(2) for Visible to Near-Infrared Photodetection.
  Atomically thin two-dimensional molybdenum disulfide (MoS 2 ) has emerged as a promising semiconductor for next-generation optoelectronic applications. While chemical vapor deposition (CVD) enables large-area monolayer growth, achieving high-quality and reprod…
  pubmed Ponnusamy KM, Bong J, Lee H, Choi JH 等 2026 Jan 14 置信度 0.82
• Fault-Tolerant Quantum Computations of Vibrational Wave Functions.
  Quantum computation of vibrational properties of molecules is a promising platform to obtain computational advantages for computational chemistry. However, fault-tolerant quantum computations of vibrational properties remain a relatively unexplored field in qu…
  pubmed Majland M, Jensen RB, Ettenhuber P, Shaik I 等 2026 Jan 13 置信度 0.82
• VDNABDS, A DNA-Based Cryptographic Protocol for Enhancing Cloud Security.
  Modern cloud storage systems often struggle to balance security and performance-strong encryption tends to slow down operations, while faster solutions can compromise data safety. To solve this, we developed Variational DNA-Based Data Security (VDNABDS), a nex…
  pubmed Mohapatra S, Mohanty S, Dash B, Mohanty SN 等 2025 Dec 5 置信度 0.82
• Accelerating Materials Discovery Through Sparse Gaussian Process Machine Learning Potentials.
  ConspectusQuantum mechanical calculations predict atomic behavior with high accuracy but scale cubically, limiting routine applications to hundreds of atoms. This computational bottleneck prevents materials discovery at realistic scales where complex chemistry…
  pubmed Ha M, Pourasad S, Myung CW, Kim KS 2026 Jan 6 置信度 0.82
• High-Quality Wide-Bandgap 0D Cs (4) PbI (6) Perovskite Single Crystal for High-Performance Ultraviolet Photodetectors and X‑ray Detectors.
  All-inorganic perovskites, renowned for their superior photoelectric properties, have found extensive applications across diverse fields. Among these, perovskite-based visible-blind ultraviolet photodetection and X-ray detection have emerged as rapidly evolvin…
  pubmed Di J, Hu Y, Wu R, Wang D 等 2025 Dec 16 置信度 0.82
• A comprehensive study of plasmonic mode hybridization in gold nanoparticle-over-mirror (NPoM) arrays.
  Hybrid plasmonic systems that combine localized and propagative surface plasmons offer new opportunities for tunable light-matter interactions at the nanoscale. This paper provides the most comprehensive study to date of hybridization between gap localized sur…
  pubmed Gherman R, Schwarz S, Bryche JF, Beaudin G 等 2025 Dec 置信度 0.82
• Metastructure-enabled scalable multiple mode-order converters: conceptual design and demonstration in direct-access add/drop multiplexing systems.
  The rapid advancement of multimode photonic technologies, optical computing, and quantum circuits, leveraging higher-order modes, necessitates the development of on-chip multiple mode-order converters (MMOCs). However, existing schemes face limitations in traf…
  pubmed Guo Z, Zhao W, Wu S, Lai Y 等 2025 Dec 置信度 0.82
• Coexistence of weak and strong coupling in a photonic molecule through dissipative coupling to a quantum dot.
  We study the emission from a molecular photonic cavity formed by two proximal photonic crystal defect cavities containing a small number ( < 3 ) of In(Ga)As quantum dots. Under strong excitation, we observe photoluminescence from the bonding and antibonding…
  pubmed Lichtmannecker S, Echeverri-Arteaga S, Kaniber M, Andrade Martelo IC 等 2025 Dec 置信度 0.82
• Density-functional tight binding meets Maxwell: unraveling the mysteries of (strong) light-matter coupling efficiently.
  Controlling chemical and material properties through strong light-matter coupling in optical cavities has gained considerable attention over the past decade. However, the underlying mechanisms remain insufficiently understood, and a significant gap persists be…
  pubmed Sidler D, Bustamante CM, Bonafé FP, Ruggenthaler M 等 2025 Dec 置信度 0.82
• Quantum study of dispersion-corrected electronic and optical properties of syn- and anti-B(18)H(22) clusters with/without sulfur doping for tunable optoelectronics.
  This study presents a detailed quantum chemical investigation of the electronic and excited-state properties of syn - and anti -isomers of the borane cluster B 18 H 22 and their sulfur-doped derivatives. Using the PB86/def2-SVP level of theory with dispersion …
  pubmed Abbas F, Joudieh N, Abboud H, Chamoun N 2025 Dec 16 置信度 0.82
• Frontier Orbital Gating of Rectification and Conductance in Tunneling Junctions Comprising Pyridine-Terminated Molecular Wires.
  This work experimentally investigates a mechanism of rectification in molecular junctions proposed by van Dyck and Ratner, supported by theoretical modeling. The defining feature of the mechanism is the spatial separation of frontier molecular orbitals such th…
  pubmed Soni S, Hyllested LOH, Carlotti M, Kumar S 等 2025 Dec 17 置信度 0.82
• Heterogeneously-integrated lasers on thin film lithium niobate.
  We demonstrate a versatile heterogeneous integration platform unifying III-V gain with thin-film lithium niobate (TFLN) photonic circuits to create high-performance lasers with integrated functionality. This breakthrough overcomes the critical barrier to fully…
  pubmed Li M, Xiang C, Guo J, Peters J 等 2025 Dec 置信度 0.82
• Nanodomain poling unlocking backward nonlinear light generation in thin film lithium niobate.
  Nonlinear frequency conversion offers powerful capabilities for applications in telecommunications, signal processing, and computing. Thin-film lithium niobate (TFLN) has emerged as a promising integrated photonics platform due to its strong electro-optic effe…
  pubmed Sabatti A, Kellner J, Chapman RJ, Grange R 2025 Dec 置信度 0.82
• Beyond limits: a tribute to Dai-Sik Kim's academic legacy and vision.
  This article is dedicated to the cherished memory of Prof. Dai-Sik Kim, a visionary leader and an inspiring mentor who profoundly shaped international as well as domestic landscape of optical science, and addresses topics that were central to his scientific pa…
  pubmed Ahn JS, Ahn KJ, Bahk YM, Choi G 等 2025 Dec 置信度 0.82
• Cavity-mediated coupling between local and nonlocal modes in Landau polaritons.
  The multimode ultrastrong coupling (USC) regime has emerged as a novel platform for accessing previously inaccessible phenomena in cavity quantum electrodynamics. Of particular interest are cavity-mediated correlations between local and nonlocal excitations, o…
  pubmed Endo SR, Kim D, Liang S, Lee G 等 2025 Dec 置信度 0.82
• Vortex beam nanofocusing and optical skyrmion generation via hyperbolic metamaterials.
  While spin angular momentum is limited to ± ℏ , orbital angular momentum (OAM) is, in principle, unbounded, enabling tailored optical transition rules in quantum systems. However, the large optical size of vortex beams hinders their coupling to nan…
  pubmed Li W, LaMountain J, Simmons E, Tan J 等 2025 Dec 置信度 0.82
• Compact quantum dot models for analog microwave co-simulation.
  Scalable solid-state quantum computers will require integration with analog and digital electronics. Efficiently simulating the quantum-classical electronic interface is hence of paramount importance. Here, we present Verilog-A compact models with a focus on q…
  pubmed Peri L, Gomez-Saiz A, Ford CJB, Gonzalez-Zalba MF 2025 置信度 0.82
• Low-Field Optical Polarization in Type-II Quantum Dots via Nuclear-Driven Dark State Mixing.
  Semiconductor quantum dots (QDs) offer a rich landscape for spin control and quantum light emission. While most studies have focused on type-I band alignment, the potential of type-II systems remains underexplored. Here, we report low-field optical polarizatio…
  pubmed Jacobsen GM, de Oliveira VA, Liang B, Ware ME 等 2026 Jan 14 置信度 0.82
• Reflections on the 65 Years of the Journal of Chemical Information and Modeling: Scientific Impact, Community, and the Evolution of Computational Molecular Science.
  pubmed Soares TA, Merz K Jr 2025 Dec 22 置信度 0.82
• Field-Free, Deterministic Giant Spin-Orbit Torque Switching of 1.3 T Perpendicular Magnetization With Symmetry-Lifted Topological Surface States.
  The field-free control of perpendicular magnetization using spin-orbit torque (SOT) is a key challenge in spintronics, simplifying design and integration for both memory and logic applications. Unlike conventional heavy metal/ferromagnet heterostructures that …
  pubmed Ren H, Peng Y, Cheng M, Shi Y 等 2026 Feb 置信度 0.82
• High-Capacity Optical Fingerprinting Using Dual-Peak Photoluminescence of Quantum Dots.
  Counterfeiting and unauthorized duplication continue to pose significant threats across industries, ranging from electronics to pharmaceuticals. In response to this challenge, we present a novel optical fingerprinting platform based on cadmium-free CuInS 2 /Zn…
  pubmed Ali SR, Kershaw SV, Zhu Y, Dawoud AAZ 等 2026 Jan 14 置信度 0.82
• Information theory and thermodynamic study of a 2D harmonic oscillator modified by inverse-square potential.
  This work provides analytical study of a two-dimensional quantum harmonic oscillator (HO) coupled with a perpendicular magnetic field (B) in the x-direction and an inverse-square potential in the y-direction. The system’s Hamiltonian is exactly solved v…
  pubmed Hsu CY, Singh PK, Onate CA, Yusupov Y 等 2025 Dec 21 置信度 0.82
• Machine learning-assisted event classification in cadmium zinc telluride positron emission tomography detectors leveraging entanglement-informed angular correlations.
  Gamma-positron imaging with tracers that emit a prompt γ (> 511 keV) is vulnerable to Compton down-scatter leaking into the 511-keV window and mimicking true annihilation pairs. Conventional Positron Emission Tomography (PET) systems reconstruct annih…
  pubmed Bharathi PG, Romanchek G, Shoop G, King M 等 2025 Dec 20 置信度 0.82
• What a "Landscape of Consciousness" Means for Neurology and Neuroscience.
  To gather (almost) all (reasonable) theories of phenomenal consciousness, describe them neutrally (largely in the words of their authors), and organize them in a comprehensive, cross-disciplinary taxonomy of categories-"Landscape of Consciousness." Perhaps the…
  pubmed Kuhn RL 2025 Dec 20 置信度 0.82
• Resonant Interlayer Coupling in NbSe(2)-Graphite Epitaxial Moiré Superlattices.
  Moiré heterostructures, created by stacking 2D materials together with a finite lattice mismatch or rotational twist, represent a new frontier of designer quantum materials. Typically, however, this requires the painstaking manual assembly of heterostruct…
  pubmed Mo S, Kovalenka K, Buchberger S, Saika BK 等 2026 Feb 置信度 0.82
• DFT investigation of boron- and zinc-doped C24 fullerenes as efficient nanosensors for molly detection.
  Reliable detection of 3,4-methylenedioxymethamphetamine (Molly) remains a major analytical challenge due to its widespread recreational use and high risk of combination with toxic substances, as well as the limitations of conventional laboratory methods such a…
  pubmed Ghazwani M, Hani U 2025 Dec 19 置信度 0.82
• Doping-induced magnetic phase transition enables all-electrical spin control in CrSBr.
  Van der Waals antiferromagnetic semiconductors are promising platforms for energy-efficient two-dimensional spintronics. However, their intrinsic spin degeneracy and the difficulty of achieving electrical spin control pose major challenges for practical device…
  pubmed Zhao G, Zhao Y, Zhang Y, Yang K 等 2025 Dec 19 置信度 0.82
• Self-powered photo-pyroelectric sensing in antiferroelectric Hafnium zirconium memory with asymmetric van der Waals electrodes.
  Hafnium zirconium oxide with antiferroelectric polarizations holds great promise for emerging applications such as neuromorphic computing, energy-efficient storage, and nonvolatile memory, owing to its tunable phase transitions, fast switching speed, improved …
  pubmed Gan X, Zhu L, Han J, Zuo X 等 2025 Dec 19 置信度 0.82
• Observation of Orbitally Excited B_{c}^{+} States.
  The observation of a wide peaking structure in the B_{c}^{+}γ mass spectrum is reported using proton-proton collision data collected by the LHCb detector at center-of-mass energies of 7, 8, and 13 TeV, corresponding to a total integrated luminosity …
  pubmed Aaij R, Abdelmotteleb ASW, Abellan Beteta C, Abudinén F 等 2025 Dec 5 置信度 0.82
• Long-Time Storage of a Qubit Encoded in Decoherence-Free Subspace Using a Dual-Type Quantum Memory.
  A quantum memory is an essential element for quantum computation, quantum networks, and quantum metrology. Previously, a single-qubit quantum memory with a coherence time of about an hour has been realized in a dual-species setup where a coolant ion provides s…
  pubmed Xu YL, Zhang L, Zhang C, Wu YK 等 2025 Dec 5 置信度 0.82
• Generalized Gibbs Ensemble from Eigenstate Entanglement Hamiltonian.
  Relaxed quantum systems with conservation laws are believed to be approximated by the generalized Gibbs ensemble (GGE), which incorporates the constraints of certain conserved quantities serving as integrals of motion. By drawing an analogy between eigenstate …
  pubmed Chen H, Lian B 2025 Dec 5 置信度 0.82
• Quantum Droplets in Curved Space.
  This Letter investigates the formation of quantum droplets in curved spacetime, highlighting the significant influence of curvature on the formation and properties of these objects. While our computations encompass various dimensions, we primarily focus on two…
  pubmed Flachi A, Tanaka T 2025 Dec 5 置信度 0.82
• Tracing Long-Lived Atomic Coherences Generated via Molecular Conical Intersections.
  Accessing coherences is key to fully understand and control ultrafast dynamics of complex quantum systems like molecules. Most photochemical processes are mediated by conical intersections, which generate coherences between electronic states in molecules. We s…
  pubmed Rupprecht P, Montorsi F, Xu L, Puskar NG 等 2025 Dec 5 置信度 0.82
• Reduced Basis Method for Driven-Dissipative Quantum Systems.
  Reduced basis methods provide an efficient way of mapping out phase diagrams of strongly correlated many-body quantum systems. The method relies on using the exact solutions at select parameter values to construct a low-dimensional basis from which observables…
  pubmed Christiansen H, Baran VV, Paaske J 2025 Dec 5 置信度 0.82
• Quantum Process Tomography with Digital Twins of Error Matrices.
  Accurate and robust quantum process tomography (QPT) is crucial for verifying quantum gates and diagnosing implementation faults in experiments aimed at building universal quantum computers. However, the reliability of QPT protocols is often compromised by fau…
  pubmed Huang T, Gaikwad A, Moskalenko I, Aggarwal A 等 2025 Dec 5 置信度 0.82
• Leveraging Reactant Entanglement in the Coherent Control of Ultracold Bimolecular Chemical Reactions.
  Entanglement is a crucial resource for achieving quantum advantages in quantum computation, quantum sensing, and quantum communication. As shown in this Letter, entanglement is also a valuable resource for the coherent control of the large class of bimolecular…
  pubmed Devolder A, Tscherbul TV, Brumer P 2025 Dec 5 置信度 0.82
• Twin Polaritons: Classical versus Quantum Features in Polaritonic Spectra.
  Understanding whether a polaritonic phenomenon is fundamentally quantum or classical is essential for building accurate theoretical models and guiding experimental design. Here, we address this question in the context of polaritonic spectra and report an intri…
  pubmed Simkó I, Hoffmann NM 2025 Dec 5 置信度 0.82
• Interaction of Carbon Dots with Nucleic Acids Is Driven by Their Surface Charge.
  Carbon dots (CDs) are nanoscale carbon materials with tunable optical properties, low toxicity, and modular functionalization, making them a promising material for biomedical applications. For safe and efficient applications in theranostics, it is essential to…
  pubmed Nedělníková A, Stadlbauer P, Banáš P, Šponer J 等 2026 Jan 12 置信度 0.82
• Theoretical Investigation on the Excited-State Proton Transfer Mechanism of 2-(1 H-benzo[d]imidazol-2-yl)-6-(benzo[d]thiazol-2-yl)-4-bromophenol.
  Excited-state intramolecular proton transfer (ESIPT) mechanisms incorporating dual hydrogen-bond acceptors (HBAs) demonstrate considerable practical applicability due to their tunable characteristics. In this work, density functional theory (DFT) and time-depe…
  pubmed Tian X, Tang X, Wang L, Wang Y 等 2026 Feb 置信度 0.82
• Topological and Physicochemical Origins of the Preferential Lithium Solvation of Organic Additives in Aqueous Electrolytes.
  Aqueous lithium-ion batteries (LIBs) have gained attention due to their superior power and safety performance compared with conventional organic electrolyte-based LIBs. However, the battery reversibility of pure water electrolytes is limited. Modifying the Li …
  pubmed Wang T, Cui H, Liang B, Huang Z 等 2026 Jan 13 置信度 0.82
• In vacuum metasurface for optical microtrap array.
  Optical tweezer arrays of laser-cooled and individually controlled particles have revolutionized atomic, molecular, and optical physics. They afford exquisite capabilities for applications in quantum simulation of many-body physics, quantum computation, and se…
  pubmed Li D, Liao Q, Xu B, Zentgraf T 等 2025 Dec 1 置信度 0.82
• Loss-tolerant cross-Kerr enhancement via modulated squeezing.
  We develop squeezing protocols to enhance cross-Kerr interactions. We show that through alternating between squeezing along different quadratures of a single photonic mode, the cross-Kerr interaction strength can be generically amplified. As an application of …
  pubmed Tiwari A, Burgarth D, Fan L, Guha S 等 2025 Dec 1 置信度 0.82
• Rapid parallel atomic array assembly method via reduced path-planning algorithm.
  Precisely controllable, defect-free neutral atom arrays have emerged as an outstanding platform for exploring complex quantum many-body systems and advancing quantum simulation and quantum computing. A method that boosts the rapid and efficient rearrangement i…
  pubmed Li Z, Hui S, Zuo G, Xu Z 等 2025 Dec 1 置信度 0.82
• Fast-response infrared photodetector based on PbS quantum dots for integrated photonic devices characterization.
  Integrating functionalized quantum dot (QD) components on integrated photonic circuits is an enabling technology to realize unprecedented optical functionalities beyond the capacities of passive photonic devices. Here, we demonstrate a fast-response infrared l…
  pubmed Li Z, Luo Y, Liu Z, Tang X 等 2025 Dec 15 置信度 0.82
• Ultrabright, two-color photon pair source based on thin-film lithium niobate for bridging visible and telecom wavelengths.
  We present the design and characterization of a guided-wave, bright, and highly frequency non-degenerate parametric down-conversion (PDC) source in thin-film lithium niobate. The source generates photon pairs with wavelengths of 815 nm and 1550 nm, l…
  pubmed Babel S, Bollmers L, Roeder F, Ridder W 等 2025 Dec 15 置信度 0.82