Results 191 to 200 of about 1,813,648 (289)

Ligand-Tuned CISS-Effect of Atomically Precise Metal Oxido Nanoclusters. [PDF]

J Phys Chem Lett
Hornig D, Nguyen TNH, Baczewski LT, Gruschwitz M, Undisz A, Mehring M, Tegenkamp C.   +6 more
europepmc   +1 more source

Advancing Energy Materials by In Situ Atomic Scale Methods

Advanced Energy Materials, Volume 15, Issue 11, March 18, 2025.
Progress in in situ atomic scale methods leads to an improved understanding of new and advanced energy materials, where a local understanding of complex, inhomogeneous systems or interfaces down to the atomic scale and quantum level is required. Topics from photovoltaics, dissipation losses, phase transitions, and chemical energy conversion are ...
Christian Jooss, Michael Seibt, Martin Wenderoth, Oliver Bünermann, Ole Bunjes, Till Domröse, Christian Eckel, Francesca Falorsi, Christoph Flathmann, Monica Kolek Martinez de Azagra, Matthias Krüger, Jonas Lindner, Tobias Meyer, Claus Ropers, Ulrich Ross, Kai Rossnagel, Sreeju Sreekantan Nair Lalithambika, Simone Techert, Georg A. Traeger, Cynthia Volkert, R. Thomas Weitz, Alec M. Wodtke   +21 more
wiley   +1 more source

A polarized high-field infrared instrument reveals giant infrared chirality in Weyl semimetals. [PDF]

Natl Sci Rev
Yu ZM, Yao Y.
europepmc   +1 more source

Explaining the Origin of Negative Poisson's Ratio in Amorphous Networks With Machine Learning

Advanced Intelligent Discovery, EarlyView.
This review summarizes how machine learning (ML) breaks the “vicious cycle” in designing auxetic amorphous networks. By transitioning from traditional “black‐box” optimization to an interpretable “AI‐Physics” closed‐loop paradigm, ML is shown to not only discover highly optimized structures—such as all‐convex polygon networks—but also unveil hidden ...
Shengyu Lu, Xiangying Shen
wiley   +1 more source

VibeTube: a code for accurate extraction of CNTs' chirality from TEM images. [PDF]

Sci Technol Adv Mater
Tang D, Raj G, Picheau E, Hasan S, Hou P, Liu C.   +5 more
europepmc   +1 more source

Accelerating Discovery of Organic Molecular Crystals via Materials Informatics and Autonomous Experiments

Advanced Intelligent Discovery, EarlyView.
Materials informatics and autonomous experimentation are transforming the discovery of organic molecular crystals. This review presents an integrated molecule–crystal–function–optimization workflow combining machine learning, crystal structure prediction, and Bayesian optimization with robotic platforms.
Takuya Taniguchi, Kazuki Ishizaki, Ryo Fukasawa   +2 more
wiley   +1 more source

Chirality Transfer to the Magnetic Sublattice in the Hybrid Perovskite (R)-/(S)-3-Fluoropyrrolidinium Copper(II) Chloride. [PDF]

J Am Chem Soc
Zhang Z, Xu M, Gonzalez Jimenez JL, Zhang S, Xie W, Xu X, Straus DB.   +6 more
europepmc   +1 more source

Artificial Intelligence‐Driven Network Pharmacology: A Methodological Paradigm Shift Bridging Traditional Wisdom and Modern Science

Advanced Intelligent Discovery, EarlyView.
Artificial intelligence is redefining network pharmacology (NP). By integrating knowledge graph engineering, geometric deep learning, multiomics anchoring, and generative reasoning, AI‐driven NP (AI‐NP) transforms static target mapping into dynamic, predictive modeling.
Cong Wang, Sile Hu, Rigahai Ji, Riguna A, Siqige Hao, Ma Zhuo, Yi‐Hung Chen, Bisihalatu Hu, Ulana Bai, Xigui Hada   +9 more
wiley   +1 more source

Chiral packings in cylinders are ultrasensitive to confinement deformation. [PDF]

Nat Commun
Wang X, Guo J, Li Y.
europepmc   +1 more source

Materials Representation Learning Based on a Material–Motif Network and Heterogeneous Graphs

Advanced Intelligent Discovery, EarlyView.
Structure motifs in materials are used to construct a bipartite material–motif network that links each material to its constituent motifs and establishes connectivity among materials sharing common motifs. Network analysis reveals material clusters associated with different functional applications and supports motif‐guided screening of materials.
Anoj Aryal, Weiyi Gong, Huta Banjade, Qimin Yan   +3 more
wiley   +1 more source