Titlebook: Nanoinformatics; Isao Tanaka Book‘‘‘‘‘‘‘‘ 2018 The Editor(s) (if applicable) and The Author(s) 2018 Machine learning.Big data.Atomic resol

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書(shū)目名稱(chēng)Nanoinformatics影響因子(影響力)




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書(shū)目名稱(chēng)Nanoinformatics網(wǎng)絡(luò)公開(kāi)度




書(shū)目名稱(chēng)Nanoinformatics網(wǎng)絡(luò)公開(kāi)度學(xué)科排名




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Descriptors for Machine Learning of Materials Dataements and structures of compounds are known, these representations are difficult to use as descriptors in their unchanged forms. This chapter shows how compounds in a dataset can be represented as descriptors and applied to machine-learning models for materials datasets.

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978-981-13-5661-2The Editor(s) (if applicable) and The Author(s) 2018

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Book‘‘‘‘‘‘‘‘ 2018 has been great progress in the area in which “big-data” generated by experiments or computations are fully utilized to accelerate discovery of new materials, key factors, and design rules. Data-intensive approaches play indispensable roles in advanced materials characterization. "Materials informat

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Polyhedron and Polychoron Codes for Describing Atomic Arrangementsthird nearest neighbours, …. However, there existed no methods for describing the arrangements of polyhedra, or atomic arrangements. To overcome this problem, we have recently created the polyhedron and polychoron codes [Sci. Rep. 6, 23455, Sci. Rep. 7, 40269, and Bull. Soc. Sci. Form 32, 1 (2017)]. In this chapter, we review the methods.

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Potential Energy Surface Mapping of Charge Carriers in Ionic Conductors Based on a Gaussian Process ed using a model case of proton conduction in a well-known proton-conducting oxide, barium zirconate (BaZrO.) with the cubic perovskite structure. The proposed procedure efficiently evaluates the partial PES in the region of interest that characterizes proton conduction in the host crystal lattice of BaZrO..

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Atomic-Scale Nanostructures by Advanced Electron Microscopy and Informaticsn acceleration on the order of 10. can be achieved. Determination of the interface structure with resolution better than?~45?pm is now possible using advanced electron microscopy. In this way, nanostructures at grain boundaries and heterointerfaces can be qualified. We will introduce these state of the art methods to investigate nanostructures.