Results 211 to 220 of about 6,879 (260)

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

Harnessing Machine Learning to Understand and Design Disordered Solids

open access: yesAdvanced Intelligent Discovery, EarlyView.
This review maps the dynamic evolution of machine learning in disordered solids, from structural representations to generative modeling. It explores how deep learning and model explainability transform property prediction into profound physical insight.
Muchen Wang, Yue Fan
wiley   +1 more source

Multi‐Property Machine Learning Models to Accelerate the Transition Toward Bio‐Based Emulsion Polymers

open access: yesAdvanced Intelligent Discovery, EarlyView.
A machine learning framework simultaneously predicts four critical properties of monomers for emulsion polymerization: propagation rate constant, reactivity ratios, glass transition temperature, and water solubility. These tools can be used to systematically identify viable bio‐based monomer pairs as replacements for conventional formulations, with ...
Kiarash Farajzadehahary   +1 more
wiley   +1 more source

Extending the compensated Arrhenius formalism to concentrated alcohol electrolytes: Arrhenius vs. non-Arrhenius behavior

Electrochimica Acta, 2011
The compensated Arrhenius formalism is applied to ionic conductivities in alcohol-based electrolytes at concentrations where the salt makes a non-negligible contribution to the static dielectric constant of the solution. The temperature-dependent behavior of the conductivity depends on the amount of added salt.
Matt Petrowsky   +2 more
exaly   +2 more sources

Arrhenius and Global Warming

Science, 1996
The Swedish scientist Svante Arrhenius was the first to link changes in atmospheric carbon dioxide with changes in climate. In her Perspective, Uppenbrink marks the 100th anniversary of the publication of Arrhenius's paper on climate change.
openaire   +1 more source

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