Results 181 to 190 of about 1,415,967 (341)

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

Photothermal Conversion Promotes Challenging SNAr for Facile C─N Bond Formation

open access: yesAngewandte Chemie, EarlyView.
Photothermal conversion enables facile aromatic C─N bond formation via red light irradiation. A variety of inter‐ and intramolecular SNAr transformations are achieved under mild, schematically simple conditions. Additionally, a thermally promoted halogen exchange mechanism provides access to aryl bromides, chlorides, and fluorides – making this ...
Megan E. Matter   +2 more
wiley   +2 more sources

Roadmap on Artificial Intelligence‐Augmented Additive Manufacturing

open access: yesAdvanced Intelligent Systems, EarlyView.
This Roadmap outlines the transformative role of artificial intelligence‐augmented additive manufacturing, highlighting advances in design, monitoring, and product development. By integrating tools such as generative design, computer vision, digital twins, and closed‐loop control, it presents pathways toward smart, scalable, and autonomous additive ...
Ali Zolfagharian   +37 more
wiley   +1 more source

Biomass valorization using 3D-printed catalysts. [PDF]

open access: yesCommun Chem
Murugesan S   +9 more
europepmc   +1 more source

Cross‐Modal Characterization of Thin‐Film MoS2 Using Generative Models

open access: yesAdvanced Intelligent Systems, EarlyView.
Cross‐modal learning is evaluated using atomic force microscopy (AFM), Raman spectroscopy, and photoluminescence spectroscopy (PL) through unsupervised learning, regression, and autoencoder models. Autoencoder models are used to generate spectroscopy data from the microscopy images.
Isaiah A. Moses   +3 more
wiley   +1 more source

Home - About - Disclaimer - Privacy