Informatics for Nanomaterials Discovery and Design

CoSMIC (Combinatorial Sciences and Materials Informatics Collaboratory- http://cosmic.mse.iastate.edu) is an international collaborative research program focused on data driven discovery in materials science. Its central research theme is to develop new computational and experimental ways of accelerated mechanistic based discovery and design of materials using informatics methods. In this presentation, we describe activities of this center that are focused specifically in the field of nanosciences. Examples of our research activities include research in how informatics can be used to elucidate nanoscale mechanisms in materials, develop a rational design strategy for new nanomaterials, and enhance the quantitative analysis of spectral and imaging data at the nanoscale. Applications of the research include discovering new nanocluster chemistries of materials, extracting pico-scale information from high resolution imaging and other characterization techniques, and integrating nanomaterials data curation with informatics. Keeping with the pervasive theme of this meeting in the fields of health and environmental issues related to nanotechnology as well as nanomanufacturing, we shall highlight CoSMIC’s work in using informatics to advancing critical materials problems in these fields. CoSMIC also serves as an education portal specifically for introducing informatics concepts in the field of materials science as well as training and research workshop activities around the world

PENINGKATAN KESIAPAN GURU INFORMATIKA KABUPATEN MAGELANG UNTUK MENGIMPLEMENTASIKAN MATA PELAJARAN INFORMATIKA DALAM KURIKULUM MERDEKA

The importance of digital literacy and the challenges of the industrial revolution 4.0 that students must face are the main reasons why Informatics become one of subjects in Merdeka Curriculum taught at the junior and senior high school levels in Indonesia. However, in implementing the Merdeka Curriculum, especially the Informatics subject, there are still many schools and teachers who are not ready and do not understand the content and teaching materials of Informatics subjects which are very different from ICT subjects in the 2013 Curriculum. Therefore, the community service team of Informatics Study Program held training for Informatics teachers in Magelang Regency. 81 teachers participated in online and offline training and mentoring focused on 7 elements of informatics knowledge. The teacher training results showed that 36.4% of the participants thought the training activities helped, and 63.6% thought that the training activities beneficently improved their understanding of Informatics material in the Merdeka curriculum. In addition, 36.4% considered themselves more confident, 45.5% were ready, and 18.1% were quite ready about implementing the Informatics subject. As a follow-up, teachers still expect ongoing and more intensive assistance regarding computational thinking, algorithms and programming, cross-disciplinary practice and preparation of teaching materials

MS 186 Guide to the Nursing Informatics Project Papers ( 1962-2012)

Nursing Informatics Project papers contains books, pamphlets, brochures, and manuals detailing nursing informatics from 1962-2012 totaling 267 items. One linear foot of vertical files containing articles, SCAME 1981 NIH Conference notes, and documents about the history of early software for nursing education. Materials collected, preserved, and create as part of the American Medical Informatics Association Nursing Informatics History Project. See more at MS 186

A Map of the Inorganic Ternary Metal Nitrides

Exploratory synthesis in novel chemical spaces is the essence of solid-state chemistry. However, uncharted chemical spaces can be difficult to navigate, especially when materials synthesis is challenging. Nitrides represent one such space, where stringent synthesis constraints have limited the exploration of this important class of functional materials. Here, we employ a suite of computational materials discovery and informatics tools to construct a large stability map of the inorganic ternary metal nitrides. Our map clusters the ternary nitrides into chemical families with distinct stability and metastability, and highlights hundreds of promising new ternary nitride spaces for experimental investigation--from which we experimentally realized 7 new Zn- and Mg-based ternary nitrides. By extracting the mixed metallicity, ionicity, and covalency of solid-state bonding from the DFT-computed electron density, we reveal the complex interplay between chemistry, composition, and electronic structure in governing large-scale stability trends in ternary nitride materials

Automated computation of materials properties

Materials informatics offers a promising pathway towards rational materials design, replacing the current trial-and-error approach and accelerating the development of new functional materials. Through the use of sophisticated data analysis techniques, underlying property trends can be identified, facilitating the formulation of new design rules. Such methods require large sets of consistently generated, programmatically accessible materials data. Computational materials design frameworks using standardized parameter sets are the ideal tools for producing such data. This work reviews the state-of-the-art in computational materials design, with a focus on these automated $\textit{ab-initio}$ frameworks. Features such as structural prototyping and automated error correction that enable rapid generation of large datasets are discussed, and the way in which integrated workflows can simplify the calculation of complex properties, such as thermal conductivity and mechanical stability, is demonstrated. The organization of large datasets composed of $\textit{ab-initio}$ calculations, and the tools that render them programmatically accessible for use in statistical learning applications, are also described. Finally, recent advances in leveraging existing data to predict novel functional materials, such as entropy stabilized ceramics, bulk metallic glasses, thermoelectrics, superalloys, and magnets, are surveyed.Comment: 25 pages, 7 figures, chapter in a boo