Results 121 to 130 of about 3,516 (247)

Limitations of Foundation Models in Energy Materials Simulations: A Case Study in Polyanion Sodium Cathode Materials

open access: yesAdvanced Intelligent Discovery, EarlyView.
Several simulation techniques are used to explore static and dynamic behavior in polyanion sodium cathode materials. The study reveals that universal machine learning interatomic potentials (MLIPs) struggle with system‐specific chemistry, emphasizing the need for tailored datasets.
Martin Hoffmann Petersen   +5 more
wiley   +1 more source

Heat‐ and Light‐Directed Cycloadditions Enable a Pericyclic Cascade Reaction From a Molecular Precursor

open access: yesAngewandte Chemie, EarlyView.
A multi‐stimuli‐responsive material is designed that responds to light, heat, and mechanical force through distinct chemical reaction pathways. The pathway is directed by self‐assembly and the applied stimulus. A novel pericyclic reaction cascade is also achieved, and the mechanism is supported through density functional theory calculations.
Liulei Ma   +4 more
wiley   +2 more sources

Comparison of DeePMD, MTP, GAP, ACE and MACE Machine‐Learned Potentials for Radiation‐Damage Simulations: A User Perspective

open access: yesAdvanced Intelligent Discovery, EarlyView.
The authors evaluated six machine‐learned interatomic potentials for simulating threshold displacement energies and tritium diffusion in LiAlO2 essential for tritium production. Trained on the same density functional theory data and benchmarked against traditional models for accuracy, stability, displacement energies, and cost, Moment Tensor Potential ...
Ankit Roy   +8 more
wiley   +1 more source

Sound‐Based Assembly of Magnetically Actuated Soft Robots Toward Enhanced Release of Extracellular Vesicles

open access: yesAdvanced Intelligent Systems, Volume 7, Issue 3, March 2025.
Magnetic soft robots offer promise in biomedicine due to their wireless actuation and rapid response, but current fabrication methods are complex and have limited cellular compatibility. A new, contactless bioassembly strategy using hydrodynamic instabilities is introduced, enabling customizable, centimeter‐scale robots.
Wei Gao   +5 more
wiley   +1 more source

Artificial Intelligence for Advanced Functional Materials: Progress and Emerging Frontiers

open access: yesAdvanced Intelligent Systems, EarlyView.
Artificial intelligence is transforming the discovery of functional materials by linking synthesis, characterization, simulation, and design in unified workflows. Advances in machine learning, autonomous experimentation, and foundation models are accelerating innovation across energy, electronics, and biomedicine, while revealing new frontiers for ...
Cristiano Malica   +38 more
wiley   +1 more source

Thermally Drawn Bioelectric Catheters: Enabling Proprioceptive Endovascular Navigation

open access: yesAdvanced Intelligent Systems, EarlyView.
This work introduces a novel bioelectric navigation system eliminates the need for harmful fluoroscopy during endovascular surgeries. A bespoke 16‐electrode catheter is fabricated using rapid thermal drawing and laser micro‐machining. Paired with a real‐time tracking algorithm fusing vascular geometry detection and distance estimation, this technology ...
Alex Ranne   +8 more
wiley   +1 more source

Host‐Specific Interactions Between Staphylococcus aureus and Pseudomonas aeruginosa Impair Epithelial Repair in Chronic Rhinosinusitis

open access: yesInternational Forum of Allergy &Rhinology, EarlyView.
ABSTRACT Background Chronic rhinosinusitis (CRS) is frequently associated with polymicrobial biofilms involving Staphylococcus aureus and Pseudomonas aeruginosa. Interactions between these organisms are thought to influence disease severity, but the epithelial effects of exoproteins derived from patient‐matched cocultures remain poorly defined ...
Xiaohan Sun   +6 more
wiley   +1 more source

Polishing Mechanism of Magnetic Abrasion

open access: yesJournal of the Japan Institute of Metals, 1993
Kazuhiro Tsuchiya   +3 more
openaire   +2 more sources

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