Results 101 to 110 of about 196 (192)

Topological Materials and Related Applications

Advanced Electronic Materials, EarlyView.
This review covers topological materials—including topological insulators, quantum valley Hall and quantum spin Hall insulators, and topological Weyl and Dirac semimetals—as well as their most recent advancements in fields such as spintronics, electronics, photonics, thermoelectrics, and catalysis.
Carlo Grazianetti, Roberto Mantovan, Emanuele Longo, Harold J. W. Zandvliet, Pantelis Bampoulis, Yu Pan, Fan Li, Xia Wang, Payton Downey, Alessandro Molle   +9 more
wiley   +1 more source

Smart Exploration of Perovskite Photovoltaics: From AI Driven Discovery to Autonomous Laboratories

Advanced Energy Materials, EarlyView.
In this review, we summarize the fundamentals of AI in automated materials science, and review AI applications in perovskite solar cells. Then, we sum up recent progress in AI‐guided manufacturing optimization, and highlight AI‐driven high‐throughput and autonomous laboratories.
Wenning Chen, Zheyu Zhang, Kelvian T. Mularso, Bonghyun Jo, Hyun Suk Jung   +4 more
wiley   +1 more source

Machine Learning Interatomic Potentials for Energy Materials: Architectures, Training Strategies, and Applications

Advanced Energy Materials, EarlyView.
Machine learning interatomic potentials bridge quantum accuracy and computational efficiency for materials discovery. Architectures from Gaussian process regression to equivariant graph neural networks, training strategies including active learning and foundation models, and applications in solid‐state electrolytes, batteries, electrocatalysts ...
In Kee Park, Saeed Pourasad, Jinhong Mun, Arunkumar Chitteth Rajan, Tae Hyeon Park, Anand Rohit, Mohammad Zafari, Tan‐Lien Pham, Eunjae Jung, Bonseung Koo, Miran Ha, Gi Beom Sim, Hyun Gyu Park, Won Woong Choi, Kwanghyeon Jo, Soohaeng Yoo Willow, David ChangMo Yang, Chang Woo Myung, Geunsik Lee, Kwang S. Kim   +19 more
wiley   +1 more source

Decoding Tattoo and Permanent Makeup Pigments: Linking Physicochemical Properties to Absorption, Distribution, Metabolism, and Elimination Profiles Using Quantitative Structure–Activity Relationship (QSAR)‐Based New Approach Methodologies (NAMs)

Advanced Intelligent Discovery, EarlyView.
This study applies QSAR‐based new approach methodologies to 90 synthetic tattoo and permanent makeup pigments, revealing systemic links between their physicochemical properties and absorption, distribution, metabolism, and elimination profiles. The correlation‐driven analysis using SwissADME, ChemBCPP, and principal component analysis uncovers insights
Girija Bansod, Ajay Vikram Singh, Preeti Bhardwaj, Tulika Rai, Sweta Vijay Nakhale, Amruta Shelar, Rajendra Patil, Peter Laux, Andreas Luch, Christopher J. Osgood, Michael W. Stacey   +10 more
wiley   +1 more source

Interpretability and Representability of Commutative Algebra, Algebraic Topology, and Topological Spectral Theory for Real‐World Data

Advanced Intelligent Discovery, EarlyView.
This article investigates how persistent homology, persistent Laplacians, and persistent commutative algebra reveal complementary geometric, topological, and algebraic invariants or signatures of real‐world data. By analyzing shapes, synthetic complexes, fullerenes, and biomolecules, the article shows how these mathematical frameworks enhance ...
Yiming Ren, Guo‐Wei Wei
wiley   +1 more source

Iterative Synthesis of Pyrene–Coronene Molecular Graphene Nanoribbons

Angewandte Chemie, EarlyView.
An iterative approach delivers a new family of undoped, cove‐edged graphene nanoribbons with lengths up to 9.1 nm that exhibit both molar absorptivity and fluorescence brightness values on the order of 105 M−1 cm−1 and an intrinsic charge‐carrier mobility of 475 ± 32 cm2 V−1 s−1.
Miguel A. Medel, Guanzhao Wen, Adrián Morón‐Blanco, Mischa Bonn, Hai I. Wang, Manuel Melle‐Franco, Aurelio Mateo‐Alonso   +6 more
wiley   +2 more sources

Harnessing Machine Learning to Understand and Design Disordered Solids

Advanced 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

Vapor‐Phase Grain‐Boundary Anchoring Enables Molecular Toughening and Record Bending Endurance in Pilot‐Scale Roll‐to‐Roll‐Printed Flexible Perovskite Modules

Angewandte Chemie, EarlyView.
A vapor‐phase molecular toughening strategy is developed for pilot‐scale roll‐to‐roll (R2R) ‐compatible fabrication of flexible perovskite solar modules. Thiol vapor selectively regulates crystallization and anchors at grain boundaries, reducing defects while enhancing mechanical resilience.
Lirong Dong, Viktor Rehm, Shudi Qiu, Zexian Han, Naveen Harindu Hemasiri, Michael Wurmshuber, Michael Wagner, Cindy‐Ly Tavera‐Méndez, Dorothea Wisser, Chaohui Li, Robin Basu, Leopold Lahn, Olga Kasian, Sarmad Feroze, Wolfgang Heiss, Andreas Distler, Hans‐Joachim Egelhaaf, Fu Yang, Christoph J. Brabec   +18 more
wiley   +2 more sources

AI‐Guided Co‐Optimization of Advanced Field‐Effect Transistors: Bridging Material, Device, and Fabrication Design

Advanced Intelligent Discovery, EarlyView.
This article outlines how artificial intelligence could reshape the design of next‐generation transistors as traditional scaling reaches its limits. It discusses emerging roles of machine learning across materials selection, device modeling, and fabrication processes, and highlights hierarchical reinforcement learning as a promising framework for ...
Shoubhanik Nath, Shauryaraj K. Jilkar, Aditya Udgaonkar, Yu (Joe) Lu, Ali Mesbah   +4 more
wiley   +1 more source

Implantation‐On‐Chip: An AI‐Based Platform for Monitoring the Embryo Trophoblast–Endometrial Stroma Cross Talk With Xenobiotics Interference

Advanced Intelligent Systems, EarlyView.
We present a novel AI‐integrated implantation‐on‐chip platform that enables mimicking and monitoring the maternal–fetal interactions at the early phases of human embryo implantation with high spatiotemporal resolution. The complexity of the trophoblast invasion process was addressed by conducting the analysis at global (rate of invasion) and local ...
Joanna Filippi, Valentina Lacconi, Arianna Mencattini, Micol Massimiani, Dolores Lobresca, Gaia Posanzini, Alessia Riccardi, Paola Casti, Michele D’Orazio, Gianni Antonelli, Giorgia Curci, Luisa Campagnolo, Eugenio Martinelli   +12 more
wiley   +1 more source