Results 241 to 250 of about 44,636 (300)

TRACER: a reliability-first GemNet baseline for trustworthy computational materials discovery. [PDF]

Sci Rep
Datta G, Sharif S, Banad Y.
europepmc   +1 more source

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

Environmental footprint quantification and optimization methods for digital poster design based on life cycle assessment. [PDF]

PLoS One
Liu Y, Ji P.
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

Bayesian uncertainty quantification to identify population level vaccine hesitancy behaviours. [PDF]

PLoS One
Warne DJ, Varghese A, Brewster A, Browning AP, Krell MM, Drovandi C, Hu W, Mira A, Mengersen K, Jenner AL.   +9 more
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

Development and validation of a fentanyl quantification model for drug checking services. [PDF]

Drug Alcohol Depend Rep
Tobias S, Guzman SM, Hein JE, Ti L.
europepmc   +1 more source

Laplace‐Pressure‐Stabilized Rutile Solid‐Solution Catalysts for Acidic Water Oxidation: Enabling DSA‐Inspired Compositions

Advanced Materials, EarlyView.
The miscibility of foreign elements in rutile‐type IrO2 and SnO2 is greatly enhanced under high Laplace pressure, where their crystal size is reduced to the nanoscale. This enhancement leads to the successful synthesis of DSA‐composition solid‐solution nanocatalysts with notable durability during the acidic OER in water electrolysis.
Chang Hyun Park, Juneseo Ahn, Dongho Kim, Hyeonsoo Wi, Ki Hyun Park, Jun Seop Kim, Sangmyeong Lee, Sung‐Yoon Chung   +7 more
wiley   +1 more source

Hybridndiff-UQ: Uncertainty quantification for hybrid neural differentiable modeling. [PDF]

Theor Appl Mech Lett
Akhare D, Luo T, Wang JX.
europepmc   +1 more source

Advances in Magnesium‐Based Thermoelectrics: A Critical Review

Advanced Materials, EarlyView.
Magnesium‐based thermoelectric materials have emerged as promising candidates for low‐to‐mid‐temperature energy conversion due to their abundance, low cost, and competitive performance. This review summarizes recent advances in Mg3X2, MgAgSb, and Mg2X systems, covering transport mechanisms, fabrication strategies, stability challenges, and device ...
Li‐Min Zhang, Li Zhang, Nan‐Hai Li, Yan‐Ling Yang, Xiao‐Lei Shi, Zhi‐Gang Chen   +5 more
wiley   +1 more source