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Advanced Theory and Simulations is a peer-reviewed journal published by Wiley, covering Machine Learning in Materials Science, 2D Materials and Applications, Perovskite Materials and Applications.
| Publisher | Wiley |
|---|---|
| Reference style | Author–year (Chicago) Author–year — (Smith, 2023) in the text Smith, Ada, Ben Jones, and Cara Lee. 2023. "A Representative Article Title." Advanced Theory and Simulations 12 (3): 45–58.
Formats any DOI in Advanced Theory and Simulations style. No sign-up. |
| Publishes research in | Machine Learning in Materials Science 2D Materials and Applications Perovskite Materials and Applications Graphene research and applications MXene and MAX Phase Materials |
| ISSN | 2513-0390 |
| Citation impact (2-yr) | 2.89 |
| h-index | 60 |
| i10-index | 598 |
| Total citations | 21,444 |
| Article processing charge | $4,020 |
| Top institutions publishing here | Chinese Academy of Sciences |
| Journal website | onlinelibrary.wiley.com |
| You get | A submission-ready PDF and the editable LaTeX source — ready to submit. |
Citations each year’s papers have accumulated so far — the most recent years are still building up.
Abstract The efficient extraction of force constants (FCs) is crucial for the analysis of many thermodynamic materials properties. Approaches based on the systematic enumeration of finite differences scale poorly with system size and can rarely extend beyond third order when input data is obtained from first‐principles calculations. Methods based on parameter fitting in the spirit…
Abstract Luminescence (nano)thermometry is an increasingly important field for remote temperature sensing with high spatial resolution. Most typically, ratiometric sensing of the luminescence emission intensities of two thermally coupled emissive states based on a Boltzmann equilibrium is used to detect the local temperature. Dependent on the temperature range and preferred spectral window, various choices for…
Abstract Alloy cluster expansions (CEs) provide an accurate and computationally efficient mapping of the potential energy surface of multi‐component systems that enables comprehensive sampling of the many‐dimensional configuration space. Here, integrated cluster expansion toolkit (ICET), a flexible, extensible, and computationally efficient software package, is introduced for the construction and sampling of CEs. ICET is largely…
Abstract This paper presents a comprehensive review of the literature and trends on the design of periodic microstructural composite materials including photonic crystals (PtCs), phononic crystals (PnCs), and metamaterials (MMs) by topology optimization. The properties of these materials rely highly on the constitutive materials and their spatial distributions and the resulting materials may exhibit various…
Abstract Recording atomic‐resolution transmission electron microscopy (TEM) images is becoming increasingly routine. A new bottleneck is then analyzing this information, which often involves time‐consuming manual structural identification. A deep learning‐based algorithm for recognition of the local structure in TEM images was developed, which is stable to microscope parameters and noise. The neural network is trained…
