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physical sciences

GeneTech 知识引擎共收录 4608 篇相关科研实体，横跨 30 个垂直领域。数据来自 OpenAlex、arXiv、Crossref、PubMed、Europe PMC 等公开学术源，全部可溯源到原文。

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代表性文献（按质量分排序，前 60 条）

• Integration of a Structural Coherence Model with a Semi-Universal Machine Learning Interatomic Potential to Predict Molten Salt Thermal Conductivity
  2026 · AI 驱动科学发现 · Abstract The accurate design and performance assessment of energy generation systems that use molten salts as working fluids require accurate characterization of thermal conductivity, with a sufficiently low uncertainty.…
• Enabling accurate chemical modeling of shocked energetic materials using a machine learning interatomic potential.
  2026 · AI 驱动科学发现 · Understanding the complex chemistry of organic materials under dynamic compression is important for many applications, but it is challenging due to the large number of reactions occurring at various time scales. Here, we…
• The use of machine learning interatomic potentials for the verification of experimental molecular crystal structures.
  2026 · AI 驱动科学发现 · A correctly solved crystal structure should agree with the experimental data, and its geometry should correspond to a local minimum on the potential energy surface (PES). The idea of verifying crystal structure solutions…
• Comparing and assessing the thermophysical and structural predictions of an empirical and a machine-learning interatomic potentials on liquid (U,Zr).
  2026 · AI 驱动科学发现 · Abstract Liquid uranium–zirconium (U,Zr) mixtures play a crucial role in the context of nuclear accident scenarios, particularly in the early stages of pressurized-water reactor accidents. In this study, we compare the t…
• Assessing melting points from machine learning interatomic potentials using PBE and PBEsol exchange-correlation functionals.
  2026 · AI 驱动科学发现 · Accurate prediction of a material’s melting temperature is critical for materials design and high-temperature applications. In this work, we investigate melting behavior across a deliberately selected set of elemental me…
• Integrating Charge Equilibration with Equivariant Machine-Learning Interatomic Potentials.
  2026 · AI 驱动科学发现 · Machine-learning interatomic potentials (MLIPs) based on local atomic environments have achieved remarkable accuracy and efficiency, yet they often struggle in systems where long-range electrostatics, charge transfer, an…
• Leveraging the Potential of Machine-Learning Interatomic Potentials for QM/MM Simulations.
  2026 · AI 驱动科学发现 · Machine-learning interatomic potentials (MLIPs) are increasingly used to replace computationally expensive quantum-mechanical (QM) calculations to obtain the energies and forces in ab initio or multiscale molecular dynam…
• Transfer Learning from Homogeneous to Heterogeneous: Fine-Tuning a Pretrained Interatomic Potential for Multicomponent Mo Alloys with Localized Substitutional Alloying
  2026 · AI 驱动科学发现 · Machine learning interatomic potentials (MLIPs) are typically constructed for homogeneous crystalline systems that exhibit only minimal local deviations from equilibrium configurations. However, substitutional alloying e…
• Context-Guided Hard-Negative Background Suppression for Crack Segmentation on Complex-Texture Farmland Roads.
  2026 · AI 驱动科学发现 · Field-road cracks in high-standard farmland are often slender, low-contrast, and surrounded by complex textures that cause U-Net-based models to misclassify aggregates, tire marks, shadows, and repair edges as cracks. To…
• Electrical Resistivity Change Upon Crystallization as a Robust Descriptor for Metallic Glass Forming Ability.
  2026 · AI 驱动科学发现 · Rapid identification of compositions with high glass forming ability (GFA) remains a major bottleneck in the discovery of new metallic glasses. Here we show that the electrical resistivity change induced by thermal annea…
• Deep Learning Enables Identification of Antimicrobial Peptides Through Mechanochromic Fingerprints.
  2026 · AI 驱动科学发现 · Antimicrobial peptides (AMPs) are promising antibiotic alternatives, but their diverse modes of action make functional classification slow and labor-intensive. Here we introduce a rapid and scalable strategy for AMP iden…
• Revealing Li Staging Process in Graphite via a Genetic Algorithm Coupled with a Machine-Learning Interatomic Potential.
  2026 · AI 驱动科学发现 · Graphite remains the dominant anode material in Li-ion batteries, yet a complete understanding of its Li intercalation mechanism, commonly described as staging, is still elusive. This difficulty arises from two fundament…
• Ready-to-Use Polymerization Simulations Combining Universal Machine Learning Interatomic Potential with Time-Dependent Bond Boosting for Polymer and Interface Design.
  2026 · AI 驱动科学发现 · Although polymerization and curing reactions govern the performance of advanced materials, their simulation remains challenging owing to the need for accurate, transferable potentials and the rarity of chemical events. C…
• Machine learning interatomic potential for the structural properties iron oxides
  2025 · AI 驱动科学发现 · Abstract Iron oxides constitute an important class of materials, exhibiting a rich and intricate range of behaviors. Despite their significance, the structural and mechanical properties, particularly of Hematite ($\alpha…
• Development of a Machine Learning Interatomic Potential for Zirconium and Its Verification in Molecular Dynamics.
  2025 · AI 驱动科学发现 · Molecular dynamics (MD) can dynamically reveal the structural evolution and mechanical response of Zirconium (Zr) at the atomic scale under complex service conditions such as high temperature, stress, and irradiation. Ho…
• Probing Lattice Anharmonicity and Thermal Transport in Ultralow-κ Materials Using Machine Learning Interatomic Potentials.
  2025 · AI 驱动科学发现 · Abstract Crystalline solids with ultralow lattice thermal conductivity (κ) are highly sought after for thermoelectric energy conversion and thermal barrier coating applications. However, a comprehensive theoretical under…
• Advanced Machine Learning Interatomic Potential for Accelerated Atomistic Simulations of Lithiation Dynamics in Large-Scale Si@C Core-Shell Anodes.
  2025 · AI 驱动科学发现 · Designing high-capacity silicon-based anodes for lithium-ion batteries is fundamentally challenged by severe volume expansion during lithiation, which limits cycle life and compromises structural stability. This challeng…
• Benchmarking CHGNet Universal Machine Learning Interatomic Potential against DFT and EXAFS: The Case of Layered WS<sub>2</sub> and MoS<sub>2</sub>.
  2025 · AI 驱动科学发现 · Universal machine learning interatomic potentials (uMLIPs) deliver near ab initio accuracy in energy and force calculations at a low computational cost, making them invaluable for materials modeling. Although uMLIPs are …
• Modeling Equilibrium Solid-Liquid Interfaces under Effective Constant Chemical Potential Using Machine Learning Interatomic Potentials.
  2025 · AI 驱动科学发现 · The chemical potential (μ) of species in solution is essential for understanding various chemical processes at interfaces. Molecular dynamics (MD) simulations, constrained by fixed compositions, cannot maintain constant …
• Robust global optimization of atomic structures via a learning loss-informed on-the-fly firefly algorithm
  2026 · AI Agent 生态 · In computational materials science, global optimization is pivotal for bridging theory and experiment but can fail when the theoretical treatment defining the potential energy surface does not accurately predict stabilit…
• IoT-Based Precision Irrigation System for Real-time Calculation of VPD, ETo and Crop Water Requirements in Sustainable Agriculture
  2026 · 智慧农业 · This work develops an IoT-based precision irrigation platform for papaya (Carica papaya L., ‘Holland’ variety) in Eastern Thailand where coastal influences and heterogeneous canopies create strong microclimatic gradients…
• Optical Sensor Networks for Precision Agriculture: High-Speed Data Transmission and Remote Crop Monitoring
  2026 · 智慧农业 · Precision agriculture is more and more relying on the dense sensing and an immediate analytics to streamline irrigation, application of fertilizers, and diseases. Our suggested optical sensor network (OSN) architecture p…
• Integrating soil and canopy sensing to map and relate variability in tart cherry orchards
  2026 · 智慧农业 · Abstract Purpose Evaluate how soil and canopy sensing can map within-block variability in tart cherry orchards and identify indicators robust enough for repeatable management decisions. Methods Soil apparent electrical c…
• Wireless sensor networks for precise Phytophthora decision support
  2026 · 智慧农业 · Precision Agriculture provides the optimal treatment for each production unit that can be distinguished and which can be individually treated in an efficient way. This agricultural practise is based on detailed informati…
• Discrete element modeling and parameter calibration of vegetable plug seedling root-substrate composites
  2026 · 智慧农业 · Vegetable plug seedlings form root-substrate composites characterized by granular discreteness and cohesive bonding, which makes the direct measurement of contact parameters difficult and limits accurate simulation of tr…
• setiastro/setiastrosuitepro: SetiAstroSuitePro_V1.14.11
  2026 · AI 安全与对齐 · V1.14.11 Added options to Rescale including true binning. Minigame updates with new online Leaderboard. Mag tool update. Stacking Suite minor updates for comets. V1.14.10 Levels Tool UX improvements. Star alignment hotpi…
• setiastro/setiastrosuitepro: SetiAstroSuitePro_V1.16.5
  2026 · AI 安全与对齐 · V1.16.5 Mask awareness added to Cosmic Clarity, Aberration Remover, SyQon, and Multiscale Decomposition tools. Numpy compatibility updates across all AI inference engines. Stacking suite rejection algorithms updated for …
• Redesign and Optimization of Material Machine Learning Interatomic Potential for Molecular Dynamics Simulation
  2026 · AI 驱动科学发现 · In modern materials science and computational chemistry, efficiently performing large-scale molecular dynamics (MD) simulations with quantum-level accuracy remains a major challenge. Traditional quantum mechanics methods…
• Study of ordering in (MoCrTi)100-xAlx refractory high-entropy alloys using machine learning interatomic potential
  2026 · AI 驱动科学发现 · Refractory high-entropy alloys have emerged as promising candidates for high-temperature applications due to their exceptional mechanical properties. Understanding the thermodynamic mechanisms underlying chemical orderin…
• A modular and affordable self-driving laboratory enables vision-guided optimization of metal electrodeposition
  2026 · AI 驱动科学发现 · Metal electrodeposition is a widely used materials synthesis technique; however, industrial applications often require optimization of complex precursor formulations and electrodeposition parameters, which is typically p…
• DaveCumin/AnCiR_next: Analysis of Chronobiological Rhythms (AnCiR)
  2026 · AI 驱动科学发现 · Analysis of Chronobiological Rhythms (AnCiR) This is our 'AnCiR' to the need for a simple-to-use (GUI; no coding) tool for analysis of chronobiological rhythms (and other data). AnCiR was financially supported by a Unive…
• AI‐driven discovery of feasible 3D printing configurations for metal alloys
  2026 · AI 驱动科学发现 · Abstract Configuring additive manufacturing (AM) processes for metal alloys is challenging because printed output quality depends on complex interactions among process parameters such as laser power, scan speed, and feed…
• Foundational Machine‐Learning Interatomic Potential for Simulating Chemically Complex Ni‐Based Superalloys
  2026 · AI 驱动科学发现 · For decades, atomistic simulation of chemically complex Ni‐based superalloys has remained beyond practical reach. Here, we apply the GRACE foundational machine‐learning interatomic potential to predict chemical ordering …
• Аналіз використання Google Earth Engine для визначення змін агроландшафтів за даними Sentinel-2
  2025 · 智慧农业 · Мета дослідження полягала в апробації технології визначення змін агроландшафтів за даними супутникових знімків Sentinel-2 із використанням інструментів Google Earth Engine (GEE) на прикладі території Жовківської територі…
• Precision Agriculture using Networks of Degradable Analytical Sensors (PANDAS) (Final Technical Report)
  2025 · 智慧农业 · Precision agriculture, where sensing of soil, environment and crop conditions are used to precisely synchronize inputs (such as water and fertilizer) to crop needs enhances input use efficiency. This can improve yields a…
• Diffusion Probabilistic Models for NIR Spectral Data Augmentation in Precision Agriculture
  2025 · 智慧农业 · Near-infrared (NIR) spectroscopy is a rapid, non-destructive tool widely used in agriculture, but limited labeled spectra often constrain model robustness. To address this, we propose using denoising diffusion probabilis…
• Multispectral Imaging Supervised by Optical Spectrometry for Close Acquisition in Precision Agriculture
  2025 · 智慧农业 · Satellite and airborne multispectral imaging has shown huge potential for many agricultural applications, primarily for plant indices. Imaging close to plants allows further expansion of this potential, such as early ide…
• PENERAPAN SMART FARMING MAGGOT BSF DALAM MENDORONG KUALITAS AYAM UNGGUL
  2025 · 智慧农业 · Abstrak: Desa Karangkobar di Kendal memiliki lingkungan alam yang subur, menjadikannya tempat yang cocok untuk peternakan ayam. Ketersediaan pakan alami, udara bersih, dan kualitas air yang baik mendukung kesehatan terna…
• Snapshot hyperspectral imaging for production improvements in Atlantic salmon farming: A proof-of-concept study
  2025 · 智慧农业 · • Hyperspectral imaging (HSI) evaluated for sexual maturity in Atlantic salmon. • Snapshot HSI integrated with halogen illuminators for image acquisition. • Mean spectral reflectance differed between mature and immature …
• Does mixed farming benefit moths? Exploring how different farming systems shape both local features and the wider landscape
  2025 · 智慧农业 · Moths are important pollinators and provide an essential food source for higher taxa, yet many species that were once widespread are in decline across Europe. This is largely due to practices associated with intensive fa…
• Machine Learning Interatomic Potential for Atmospheric Chemistry
  2025 · AI 驱动科学发现 · Aerosols consist of solid or liquid particulate matter suspended in the atmosphere, varying in chemical composition and dimension. They play crucial roles in Earth’s climate system by affecting radiative forcin…
• Prediction of phase diagram using machine learning interatomic potential and implication for equilibrium under nonhydrostatic stress
  2025 · AI 驱动科学发现 · The stable pressure-temperature (P-T) ranges of metamorphic minerals are crucial for the reconstruction of geological history. Conventionally, phase diagrams were constructed using thermodynamic databases fitted to exper…
• Data-efficient machine-learning interatomic potential for studying radiation effects in germanium
  2025 · AI 驱动科学发现 · Abstract Exposure to harsh radiation environments leads to displacement damage in semiconductor materials, ultimately degrading the device performance. Molecular dynamics (MD) is a powerful method for simulating the dyna…
• Enabling Accurate Chemical Modeling of Shocked Energetic Materials Using a Machine Learning Interatomic Potential
  2025 · AI 驱动科学发现 · Understanding the complex chemistry of organic materials under dynamic compression is important for many applications, but is challenging due to the large number of reactions occurring at various time scales. Here, we de…
• Application of Simultaneous Active and Passive Fluorescence Observations: Extending a Fluorescence-Based qL Estimation Model
  2025 · AI 驱动科学发现 · The fraction of open Photosystem II (PSII) reaction centers (qL) is critical for connecting broadband PSII fluorescence (ChlFPSII) with the actual electron transport from PSII to Photosystem I. Accurately estimating qL i…
• BRINE: a cost-effective electrochemical self-driving laboratory for accelerated discovery of high-performance electrolytes
  2025 · AI 驱动科学发现 · The discovery of next-generation battery electrolytes increasingly involves complex, multicomponent formulations that demand high-throughput, systematic exploration. We present the Bayesian Robotic Investigator of Novel …
• Comparison of intermediate-range order in GeO2 glass: Molecular dynamics using machine-learning interatomic potential vs reverse Monte Carlo fitting to experimental data.
  2024 · AI 驱动科学发现 · The short-range order and intermediate-range order in GeO2 glass are investigated by molecular dynamics using machine-learning interatomic potential trained on ab initio calculation data and compared with the revers…
• Machine learning interatomic potential with DFT accuracy for general grain boundaries: Analysis of grain boundary energy and atomic structure in α-Fe polycrystals
  2024 · AI 驱动科学发现 · Abstract To advance the development of high-strength polycrystalline metallic materials towards achieving carbon neutrality, it is essential to design materials in which the atomic-level control of general grain boundari…
• Predictions of Boron Phase Stability Using an Efficient Bayesian Machine Learning Interatomic Potential.
  2024 · AI 驱动科学发现 · Thermodynamic phase stability of three elemental boron allotropes, i.e., α-B, β-B, and γ-B, was investigated using a Bayesian interatomic potential trained via a sparse Gaussian process (SGP). SGP poten…
• Machine learning interatomic potential for silicon-nitride (Si3N4) by active learning.
  2023 · AI 驱动科学发现 · Silicon nitride (Si3N4) is an extensively used material in the automotive, aerospace, and semiconductor industries. However, its widespread use is in contrast to the scarce availability of reliable interatomic potentials…
• Finding middle grounds for incoherent horn expressions: the moral machine case
  2024 · AI Agent 生态 · Abstract Smart devices that operate in a shared environment with people need to be aligned with their values and requirements. We study the problem of multiple stakeholders informing the same device on what the right thi…
• Portable shifted excitation Raman difference spectroscopy for agri-photonics: from on-site precision agriculture to smart farming
  2024 · 智慧农业 · Portable Shifted Excitation Raman Difference Spectroscopy (SERDS) using two excitation wavelengths around 785 nm is applied for selected applications in the field of agri-photonics. In the presence of daylight and laser-…
• GVIS - Ground-operated Visible/Near-Infrared Imaging Spectrometer
  2024 · 智慧农业 · The condition of vegetation can be analyzed by using hyperspectral sensors. To cover large areas and to obtain spatial coverage, it is necessary to use an imaging system. The ‘Ground-operated Visible/Near-Infrared Imagin…
• Hay and forage measurement for mapping
  2024 · 智慧农业 · A Massey Ferguson 187 large square baler was instrumented with tension dynamometers in the bale chute support chains and differential cantilever beams at the bale chute pivot positions to facilitate measurement of bale w…
• Regional Source-type Discrimination Using Nonlinear Alignment Algorithms
  2024 · AI 安全与对齐 · The discrimination problem in seismology aims to accurately classify different underground source types based on local, regional or teleseismic observations of ground motion. Typical discriminant approaches are rooted in…
• Self-Driving Telescopes: Autonomous Scheduling of Astronomical Observation Campaigns with Offline Reinforcement Learning
  2024 · AI 驱动科学发现 · Modern astronomical experiments are designed to achieve multiple scientific goals, from studies of galaxy evolution to cosmic acceleration. These goals require data of many different classes of night-sky objects, each of…
• Statistical diagnostics for sensing spatial residue cover
  2023 · 智慧农业 · Timely information on within field soil quality spatial variability is pertinent for sustainable agroecosystem management. Although, plant residues constitute a critical input influencing soil quality dynamic, robust bas…
• Comparison of different EC-mapping sensors
  2023 · 智慧农业 · Digital Soil Mapping becomes more and more important not only in Precision Farming. In the past, miscellaneous technologies and sensors, including geophysical techniques were tested to get information about the spatial v…
• Design, implementation and validation of a sensor-based precise airblast sprayer to improve pesticide applications in orchards
  2023 · 智慧农业 · An orchard sprayer prototype running a variable-rate algorithm to adapt the spray volume to the canopy characteristics (dimensions, shape and leaf density) in real-time was designed and implemented. The developed machine…
• Smart AgrIOT : A Machine learning and IOT based complete farming solution
  2023 · 智慧农业 · Agriculture plays the major role in economics and survival of rural people in India. Due to unavailability of crop related data, unexpected weather actions, wrong cropping methods productivity of agricultural field is ve…

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