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1. MaterialsAtlas.org: a materials informatics web app platform for materials discovery and survey of state-of-the-art

   https://doi.org/10.1038/s41524-022-00750-6  

   Hu, Jianjun; Stefanov, Stanislav; Song, Yuqi; Omee, Sadman Sadeed; Louis, Steph-Yves; Siriwardane, Edirisuriya M. D.; Zhao, Yong; Wei, Lai (April 2022, npj Computational Materials)

   Abstract The availability and easy access of large-scale experimental and computational materials data have enabled the emergence of accelerated development of algorithms and models for materials property prediction, structure prediction, and generative design of materials. However, the lack of user-friendly materials informatics web servers has severely constrained the wide adoption of such tools in the daily practice of materials screening, tinkering, and design space exploration by materials scientists. Herein we first survey current materials informatics web apps and then propose and develop MaterialsAtlas.org, a web-based materials informatics toolbox for materials discovery, which includes a variety of routinely needed tools for exploratory materials discovery, including material’s composition and structure validity check (e.g. charge neutrality, electronegativity balance, dynamic stability, Pauling rules), materials property prediction (e.g. band gap, elastic moduli, hardness, and thermal conductivity), search for hypothetical materials, and utility tools. These user-friendly tools can be freely accessed athttp://www.materialsatlas.org. We argue that such materials informatics apps should be widely developed by the community to speed up materials discovery processes. 

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2. Architectured Materials Mechanics. September 17-19, 2018 , Chicago, IL: Purdue University Libraries Scholarly Publishing Services, 2018.

   Siegmund, Thomas; Barthelat, Francois (September 2018, Proceedings of the IUTAM Symposium Architectured Materials Mechanics)

   Architectured materials are an emerging and exciting class of materials with the promise of advantageous performance and multifunctional properties. These materials are characterized by specific and periodic structural features that are larger than what is typically considered a microstructural length scale (such as a grain size) but smaller than the size of the final component made of the architectured material. This class of materials includes but is not limited to lattice materials and cellular material systems, dense material systems composed of building blocks of well-defined size and shape. The key characteristic distinguishing architectured materials from other materials is their very high morphological control, and architectured materials can therefore be considered high information materials. The tight control of the morphological characteristics allows to predefine and control specific mechanisms of local stress transfer, elastic/plastic buckling, gliding of building blocks, or propagation of cracks along predefined paths. Well-designed architectured materials can generate new and attractive combinations of properties that can be programmed in the material. In particular, the empty spaces and gliding interfaces contained in architectured materials can be exploited to overcome the theoretical bounds that apply to monolithic materials. This IUTAM symposium provides a state of the art on the engineering science of architectured materials and focus on the mechanics, design, fabrication, and mechanical performance of all categories of architectured materials including but not limited to lattice materials, metamaterials, and topologically interlocked materials. 

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3. Data-centric science for materials innovation

   https://doi.org/10.1557/mrs.2018.205  

   Tanaka, Isao; Rajan, Krishna; Wolverton, Christopher (September 2018, MRS Bulletin)

   With the development of high-speed computers, networks, and huge storage, researchers can utilize a large volume and wide variety of materials data generated by experimental facilities and computations. The emergence of these big data and advanced analytical techniques has opened unprecedented opportunities for materials research. The discovery of many kinds of materials, such as energy-harvesting materials, structural materials, catalysts, optoelectronic materials, and magnetic materials, have been greatly accelerated through high-throughput screening. The utility of data-centric science for materials research is likely to grow significantly in the future. Unraveling the complexities inherent in big data could lead to novel design rules as well as new materials and functionalities. 

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4. High‐Throughput Discovery of Novel Cubic Crystal Materials Using Deep Generative Neural Networks

   https://doi.org/10.1002/advs.202100566  

   Zhao, Yong; Al‐Fahdi, Mohammed; Hu, Ming; Siriwardane, Edirisuriya_M_D; Song, Yuqi; Nasiri, Alireza; Hu, Jianjun (August 2021, Advanced Science)

   Abstract High‐throughput screening has become one of the major strategies for the discovery of novel functional materials. However, its effectiveness is severely limited by the lack of sufficient and diverse materials in current materials repositories such as the open quantum materials database (OQMD). Recent progress in deep learning have enabled generative strategies that learn implicit chemical rules for creating hypothetical materials with new compositions and structures. However, current materials generative models have difficulty in generating structurally diverse, chemically valid, and stable materials. Here we propose CubicGAN, a generative adversarial network (GAN) based deep neural network model for large scale generative design of novel cubic materials. When trained on 375 749 ternary materials from the OQMD database, the authors show that the model is able to not only rediscover most of the currently known cubic materials but also generate hypothetical materials of new structure prototypes. A total of 506 such materials have been verified by phonon dispersion calculation. Considering the importance of cubic materials in wide applications such as solar panels, the GAN model provides a promising approach to significantly expand existing materials repositories, enabling the discovery of new functional materials via screening. The new crystal structures discovered are freely accessible atwww.carolinamatdb.org. 

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5. Materials and participants: A dialogical relationship

   Tsurusaki, B.; Tzou, C.; Carsten Conner, L.D. (January 2021, The International Conference of the Learning Sciences (ICLS) 2021: Reflecting the Past and Embracing the Future)

   deVries, E.; Hod, Y.; Ahn, J. (Ed.)

   Materials play an important role in learning. Humans actors use materials in particular ways depending on the context and materials also can shape how human actors use materials. This study explores the dialogical relationship between the participants and materials in suminagashi, a Japanese paper marbling activity. We found that materials that are traditionally thought of as art materials, such as paintbrushes, are used to support practices often considered science practices, such as experimentation. 

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