Results 221 to 230 of about 300,432 (267)

Organic Materials of Tomorrow: Horizons of Artificial Intelligence

Advanced Materials, EarlyView.
This review examines machine learning techniques accelerating the discovery of organic semiconductors by linking molecular structure to properties. Key methods include graph neural networks, generative models, and active learning. Applications to organic photovoltaics demonstrate practical impact.
Harold Mena, J. Terence Blaskovits, Kun‐Han Lin, Denis Andrienko   +3 more
wiley   +1 more source

Modeling Many-Body Interactions in Water with Gaussian Process Regression. [PDF]

J Phys Chem A
Manchev YT, Popelier PLA.
europepmc   +1 more source

Measuring the Hall Effect in Hysteretic Materials

Advanced Materials, EarlyView.
The authors highlight common pitfalls in measuring the Hall effect: in hysteretic magnets, improper data processing can create signals that look exotic but are not real. This Perspective explains the origin of these artifacts and presents practical measurement strategies that help researchers identify reliable Hall responses in complex magnetic ...
Jaime M. Moya, Anthony Voyemant, Sudipta Chatterjee, Scott B. Lee, Grigorii Skorupskii, Connor J. Pollak, Leslie M. Schoop   +6 more
wiley   +1 more source

Implementing Gaussian process modelling in predictive maintenance of mining machineries. [PDF]

Min Technol (Abingdon)
Shao Z, Kumral M.
europepmc   +1 more source

Rethinking Charge Transport and Recombination in Donor‐Diluted Organic Solar Cells

Advanced Materials, EarlyView.
Organic solar cells with 1–45% PM6 content in Y12 were studied to link structure and charge dynamics to performance. The conductivity follows a 3D percolation model without a sharp threshold. Donor dilution preserves the photogeneration yield, but limits the fill factor due to transport resistance losses.
Chen Wang, Christopher Wöpke, Toni Seiler, Jared Faisst, Mathias List, Meike Kuhn, Bekcy Joseph, Alexander Ehm, Dietrich R. T. Zahn, Yana Vaynzof, Eva M. Herzig, Roderick C. I. Mackenzie, Uli Würfel, Maria Saladina, Carsten Deibel   +14 more
wiley   +1 more source

A machine learning approach to wastewater treatment: Gaussian process regression and Monte Carlo analysis. [PDF]

Nanoscale Adv
Nadeem N, Khaliq Z, Bentalib A, Qadir MB, Ahmad F, Shahzad MW, Jumah AB.   +6 more
europepmc   +1 more source

Switchable Magnonic Crystals Based on Spin Crossover/CrSBr Heterostructures

Advanced Materials, EarlyView.
Multiscale modeling is employed to investigate the functionality of a light‐controlled, tunable magnonic crystal based on spin‐crossover Fe‐pz molecules integrated with a monolayer of CrSBr. Ab initio simulations confirm that the molecules remain functional on the CrSBr surface, while a semiclassical elastic model demonstrates that light‐induced ...
Andrei Shumilin, Sourav Dey, Denisa Coltuneac, Laurentiu Stoleriu, José J. Baldoví   +4 more
wiley   +1 more source

Toward Gaussian Process Regression Modeling of a Urea Force Field. [PDF]

J Phys Chem A
Bukowy T, Brown ML, Popelier PLA.
europepmc   +1 more source

Large‐Scale Determination of Frontier Orbital Energies of Disordered Small‐Molecule Organic Semiconductors Using Exciplex Emission Spectra

Advanced Materials, EarlyView.
ABSTRACT Accurately knowing the frontier orbital energies of the structurally disordered small‐molecule organic semiconductors that are used in optoelectronic devices such as organic light‐emitting diodes is required to rationally improve their performance. Here, we show that these energies can be deduced with a large accuracy from the peak energies of
Christian B. McDonald, Hiroki Tomita, Giacomo Cotelli, Louka L. Brüll, Nanno G. de Rooij, Lucas R.L. Norg, Milo Clément, Reinder Coehoorn   +7 more
wiley   +1 more source

Sea Surface Temperature Prediction Enhanced by Exploring Spatiotemporal Correlation Based on LSTM and Gaussian Process. [PDF]

Sensors (Basel)
Li Z, Zhu Q, Zhang D, Wu H, Peng Y.
europepmc   +1 more source