Results 121 to 130 of about 1,485,427 (242)

Data‐Driven High‐Throughput Volume Fraction Estimation From X‐Ray Diffraction Patterns

Advanced Intelligent Discovery, EarlyView.
Long exposure times and the need for manual evaluation limit the use of X‐ray diffraction in high‐throughput applications. This study presents a data‐driven approach addressing both issues. HiVE (a method for High‐throughput Volume fraction Estimation) performs composition estimation for high‐noise XRD patterns produced using polychromatic emission ...
Hawo H. Höfer, André Orth, Robert Wang, Ben Breitung, Simon Schweidler, Jasmin Aghassi‐Hagmann, Markus Reischl   +6 more
wiley   +1 more source

Artificial Intelligence for Advanced Functional Materials: Progress and Emerging Frontiers

Advanced 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, Kostya S. Novoselov, Seongmin Kim, Yousung Jung, Silvana Botti, Miguel A. L. Marques, Tigany Zarrouk, Miguel A. Caro, Sanggyu Chong, Michele Ceriotti, Marivi Fernandez‐Serra, Sara Navarro‐Rodriguez, Aakash Ashok Naik, Janine George, Ömer Hasan Omar, Victor Trinquet, Gian‐Marco Rignanese, Andrey Ustyuzhanin, Sonia Conesa‐Boj, Juan Rojo, Minh‐Tuan Dau, Simon M.‐M. Dubois, Jean‐Christophe Charlier, Jose H. Garcia, Romain Gautier, Rachid Laref, Junfeng Qiao, Giovanni Pizzi, Nicola Marzari, Camilla Coletti, Antonio Rossi, Jan‐Lucas Uslu, Chiara Zanardi, Vincenzo Palermo, Wide Hogenhout, Natalia Konchakova, Peter Klein, Tejs Vegge, Stephan Roche   +38 more
wiley   +1 more source

Limiting Absorption Principle and Radiation Condition for the Fractional Helmholtz Equation

We investigate elliptic fractional equations in the whole space, involving zero order perturbations of the fractional Laplacian $(-Δ)^s$, $00$, obtained via contour integration and a limiting absorption principle. We show that its asymptotic behavior at infinity coincides with a rescaled version of the classical Helmholtz fundamental solution, thereby ...
Zilberberg, Dana, Cakoni, Fioralba, Vogelius, Michael S.   +2 more
openaire   +2 more sources

Designing Wire Mazes for Replicating Natural Echoes to Study Bat Biosonar Function

Advanced Intelligent Systems, EarlyView.
A validated framework combining efficient physical modeling (multiple scattering model) and deep learning is presented to guide wire‐maze design for bat biosonar studies. This approach rapidly generates large datasets to test acoustic distinguishability among wire arrangements.
Chunlin Jia, Gengkai Hu, Boo Cheong Khoo, Rolf Müller   +3 more
wiley   +1 more source

CO‐Adsorption on MgO Revisited: Polarization‐Resolved Identification of Step Edges as the Dominant Defects on MgO(100) and MgO(110)

Angewandte Chemie International Edition, EarlyView.
By combining polarization‐resolved IRRAS with hybrid HSE06 DFT calculations, we establish site‐specific vibrational fingerprints, adsorption geometries, and binding energies for CO on wide‐band‐gap MgO surfaces. Low‐coordinated Mg4c2+ step‐edge sites, rather than terrace Schottky defects, are identified as the dominant binding and reactive sites, with ...
Wangtao Li, Chengwu Yang, Pablo G. Lustemberg, Zairan Yu, Alexei Nefedov, Weijia Wang, Gianfranco Pacchioni, M. Veronica Ganduglia‐Pirovano, Yuemin Wang, Christof Wöll   +9 more
wiley   +1 more source

The Part and the Whole: Field‐Dependent THz‐EPR Spectroscopy Probes Lattice‐Dependent Electronic Structure in Iron(II) Spin Crossover

Angewandte Chemie International Edition, EarlyView.
THz‐EPR spectroscopy provides direct access to the low‐lying electronic structure and spin–phonon coupling in iron(II) spin crossover (SCO) complexes. Quantification of the high‐spin fraction (γHS$\gamma _{\text{HS}}$) and subtle shifts in magnetic transitions reveal the influence of the surrounding lattice and enable discrimination between microscopic
Jooris Beyer, Gerald Ebert, Andreas Dürrmann, Benjamin Kintzel, Gerald Hörner, Tarek Al Said, Karsten Holldack, Birgit Weber, Winfried Plass   +8 more
wiley   +1 more source

Synthesis and Activity‐Based Protein Profiling Identifies Aldo‐Keto Reductase 1C3 as Target Protein of Myxoglucamides

Angewandte Chemie International Edition, EarlyView.
Myxoglucamide A—a novel glycolipopeptide isolated from myxobacteria—was synthesized, and activity‐based protein profiling identified aldo‐keto reductase 1C3 (AKR1C3) as its main target in human cells. Structure‐activity relationship studies, together with biophysical characterization and X‐ray crystallography, elucidated the structural basis of AKR1C3 ...
Thomas Siemon, Vivek K. Mishra, Mingming Zhao, Konrad Büssow, Alexander Popoff, Chengzhang Fu, Rolf Müller, Lothar Jänsch, Wulf Blankenfeldt, Mark Brönstrup   +9 more
wiley   +1 more source

Wave propagation in a photo-thermomechanical medium with triple porosity and voids under the Lord-Shulman theory. [PDF]

Sci Rep
Moulahi T, Bouteraa Y, Elidy ES, Sayed HA.   +3 more
europepmc   +1 more source

Energy-dissipative adaptive-step L1 discretisation for the Caputo time-fractional incompressible magnetohydrodynamic system. [PDF]

Sci Rep
Abidin MZ.
europepmc   +1 more source

Fractional-order Klein-Gordon nonlocal model for thermo-elasto-diffusion in porous medium. [PDF]

Sci Rep
Sur A, Alosaimi M, Singhal A, Yaylacı M, Das S.   +4 more
europepmc   +1 more source