Nanoinformatics

Part I. Materials Informatics

1. Descriptors for Machine Learning of Materials Data
Atsuto Seko, Atsushi Togo, Isao Tanaka

2. Potential Energy Surface Mapping of Charge Carriers in Ionic Conductors Based on a Gaussian Process Model
Kazuaki Toyoura, Ichiro Takeuchi

3. Machine Learning Predictions of Factors Affecting the Activity of Heterogeneous Metal Catalysts
Ichigaku Takigawa, Ken-ichi Shimizu, Koji Tsuda, Satoru Takakusagi

4. Machine Learning-Based Experimental Design in Materials Science
Thaer M. Dieb, Koji Tsuda

5. Persistent Homology and Materials Informatics
Mickaël Buchet, Yasuaki Hiraoka, Ippei Obayashi

6. Polyhedron and Polychoron Codes for Describing Atomic Arrangements
Kengo Nishio, Takehide Miyazaki

Part II. Nanoscale Analyses and Informatics

7. Topological Data Analysis for the Characterization of Atomic Scale Morphology from Atom Probe Tomography Images
Tianmu Zhang, Scott R. Broderick, Krishna Rajan

8. Atomic-Scale Nanostructures by Advanced Electron Microscopy and Informatics
Teruyasu Mizoguchi, Shin Kiyohara, Yuichi Ikuhara, Naoya Shibata

9. High Spatial Resolution Hyperspectral Imaging with Machine-Learning Techniques
Motoki Shiga, Shunsuke Muto

Part III. Materials Developments

10. Fabrication, Characterization, and Modulation of Functional Nanolayers
Hiromichi Ohta, Hidenori Hiramatsu

11. Grain Boundary Engineering of Alumina Ceramics
Satoshi Kitaoka, Tsuneaki Matsudaira, Takafumi Ogawa, Naoya Shibata, Miyuki Takeuchi, Yuichi Ikuhara

12. Structural Relaxation of Oxide Compounds from the High-Pressure Phase
Hitoshi Yusa

13. Synthesis and Structures of Novel Solid-State Electrolytes
Ryoji Kanno, Genki Kobayashi, Kota Suzuki, Masaaki Hirayama, Daisuke Mori, Kazuhisa Tamura

Avainsanat: Materials Science, Nanotechnology, Theoretical and Computational Chemistry, Nanoscale Science and Technology, Characterization and Evaluation of Materials, Spectroscopy/Spectrometry, Spectroscopy and Microscopy