Results 181 to 190 of about 12,689 (247)

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

Singlet-like correlations: equal peak work, unequal robustness. [PDF]

Eur Phys J Plus
Svozil K.
europepmc   +1 more source

Why Physics Still Matters: Improving Machine Learning Prediction of Material Properties With Phonon‐Informed Datasets

Advanced Intelligent Discovery, EarlyView.
Phonons‐informed machine‐learning predictive models are propitious for reproducing thermal effects in computational materials science studies. Machine learning (ML) methods have become powerful tools for predicting material properties with near first‐principles accuracy and vastly reduced computational cost.
Pol Benítez, Cibrán López, Edgardo Saucedo, Teruyasu Mizoguchi, Claudio Cazorla   +4 more
wiley   +1 more source

Theoretical Considerations for Patient-Specific Modeling Based on Observable State Variables. [PDF]

J Biomech Eng
Ateshian GA, Deiters S, Weiss JA.
europepmc   +1 more source

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

Inhibition and Formation of Amyloid Fibrils in the Bulk and at the Interface of Biomolecular Condensates

Angewandte Chemie, EarlyView.
In this review, we discuss how biomolecular condensates can inhibit amyloid aggregation in their interior, while still facilitating fibril formation at the interface between the dense and dilute phases, where molecular and mesoscale properties are likely optimal to promote protein aggregation.
Marcell Papp, Chiara Morelli, Sarah Khawaja, Paolo Arosio   +3 more
wiley   +2 more sources

Towards Pragmatist Thermodynamics: An Essay on the Natural Philosophy of Entropy and Sustainability. [PDF]

Entropy (Basel)
Herrmann-Pillath C.
europepmc   +1 more source

When Biology Meets Medicine: A Perspective on Foundation Models

Advanced Intelligent Discovery, EarlyView.
Artificial intelligence, and foundation models in particular, are transforming life sciences and medicine. This perspective reviews biological and medical foundation models across scales, highlighting key challenges in data availability, model evaluation, and architectural design.
Kunying Niu, Yuxing Wang, Limin Zou, Jing Huang   +3 more
wiley   +1 more source

Chelation Drives Surface Substitution in Hybrid‐MXenes

Angewandte Chemie, EarlyView.
We demonstrate ethylenediamine‐derived bidentate binding on Ti3C2 by controlled deprotonation of ─NH2 groups during reaction with Ti3C2Br2. XRD, XPS, ssNMR, STEM, DFT, and INS confirm the bidentate coordination and the superior stability of chelating modes, while AIMD reveals proton transfer and new surface imine–Ti bonding mode.
Vikash Khokhar, Young‐Hwan Kim, Abu Rashed Md. Shawon, Fatemeh Karimi, Danial Zangeneh, Yongqiang Cheng, Chang Liu, Murillo Longo Martins, Alexander S. Filatov, Robert F. Klie, Aaron J. Rossini, John S. Anderson, Dmitri V. Talapin, De‐en Jiang   +13 more
wiley   +2 more sources

Molar Heat Capacity for Graphical Pedagogy Applied to Heat Engines, Refrigerators, and Heat Pumps Driven by Chemical Change. [PDF]

J Phys Chem A
Martin ST.
europepmc   +1 more source