[Book] Materials Informatics (No. 2365)
[Available for preview] - High-speed exploration of new material candidates, prediction of compositions and structures that meet desired properties, optimization of formulation conditions.
Book Title: Development of Polymer Materials through Materials Informatics －－－－－－－－－－－－－－－－－－－－－ ■ Key Points of This Book ● Selection of Descriptors and Features! Towards Ensuring Data Quantity and Quality! - Collection of successful and unsuccessful data - Organizing data from internal and external sources such as experimental data, commercial products, and literature information - Preprocessing of noisy image data - Integration of numerical data and language data - Unit conversion, organization of measurement conditions, and documentation by experimenters - Supplementing training data with virtual data - Utilizing transfer learning and enhancing data with limited samples - Points for strengthening and expanding descriptors ● Improving Prediction Accuracy of Learning Models! - Balancing interpretability and reliability - Measures to counteract reduced interpretability due to large data volumes - Optimizing ambiguous variables through dimensionality reduction - Preprocessing explanatory variables and selecting models - Tips for incorporating scale differences into models - Ensuring reproducible data - Building multimodal AI that handles different data types such as molecules, images, and spectra - Adjusting target variables through innovative experimental and evaluation methods ● Ensuring Contradictory Physical Properties through MI, with an Eye on Scale-Up for Material Development! - Securing desired physical properties through inverse analysis
basic information
- Confirmation of reproducibility and reliability of synthetic pathways - Feasibility assessment based on researchers' knowledge and experience - Rapid development and database construction through experimental automation ● Polymer products and material properties covered in this document - Semiconductor encapsulants, resists, adhesives, pressure-sensitive adhesives, adhesive sheets, low-dielectric resins, heat-resistant resins, separation membranes, polymerization initiators, thickeners, etc. - Adhesiveness ⇔ peelability, low dielectric properties ⇔ durability, mechanical strength ⇔ ion transport properties, separation performance ⇔ long-term stability, etc. --------------------- ■ Table of Contents Chapter 1: Materials Development, Structural Design, and Applications through Materials Informatics Chapter 2: Molecular Design and Reaction Analysis for Materials Development, Descriptorization of Compounds Chapter 3: Optimization of Formulation Conditions, Prediction of Composition Ratios, and Extraction of Reaction Factors Using Machine Learning and Simulation Chapter 4: Collection, Analysis, and Processing of Experimental and Measurement Data for Materials Development and Process Design Chapter 5: Introduction and Operation of Autonomous Experiments and Automation Technologies in Materials Development ------------------------------- ● Publication Date: July 31, 2026 ● Format: A4, 425 pages ● Authors: 41 ● ISBN: 978-4-86798-162-7 -------------------------------
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2365 Materials Informatics
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