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Machine Learning Accelerated Materials Discovery For Perovskites


Machine Learning Accelerated Materials Discovery For Perovskites
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Machine Learning Accelerated Materials Discovery For Perovskites


Machine Learning Accelerated Materials Discovery For Perovskites
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Author : Jeffrey Reuben Kirman
language : en
Publisher:
Release Date : 2019

Machine Learning Accelerated Materials Discovery For Perovskites written by Jeffrey Reuben Kirman and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2019 with categories.


Reaching the full potential of optoelectronic materials is often hindered by the years of necessary trial-and-error. Perovskites are an example of materials having exceptional optoelectronic properties, but require improvement with respect to stability and toxicity as they approach commercialization. Exploring new types of perovskites is key to achieving these goals. In this thesis I develop an accelerated materials discovery pipeline aimed at discovering new perovskite materials. This pipeline incorporates image recognition that detects crystals via convolutional neural networks with 95% accuracy and uses parameter exploration to predict an optimal material with experimental data. With this framework, I discovered a new type of perovskite single crystal, (3-PLA)2PbCl4, that employs a new ligand, 3-PLA, offering avenues to higher efficiency and more stable devices. This work develops a framework for discovering and optimizing materials in a wide chemical space and provides the groundwork for identifying new materials that lie beyond known chemical spaces.



Accelerated Materials Discovery


Accelerated Materials Discovery
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Author : Phil De Luna
language : en
Publisher: Walter de Gruyter GmbH & Co KG
Release Date : 2022-02-21

Accelerated Materials Discovery written by Phil De Luna and has been published by Walter de Gruyter GmbH & Co KG this book supported file pdf, txt, epub, kindle and other format this book has been release on 2022-02-21 with Computers categories.


Typical timelines to go from discovery to impact in the advanced materials sector are between 10 to 30 years. Advances in robotics and artificial intelligence are poised to accelerate the discovery and development of new materials dramatically. This book is a primer for any materials scientist looking to future-proof their careers and get ahead of the disruption that artificial intelligence and robotic automation is just starting to unleash. It is meant to be an overview of how we can use these disruptive technologies to augment and supercharge our abilities to discover new materials that will solve world’s biggest challenges. Written by world leading experts on accelerated materials discovery from academia (UC Berkeley, Caltech, UBC, Cornell, etc.), industry (Toyota Research Institute, Citrine Informatics) and national labs (National Research Council of Canada, Lawrence Berkeley National Labs).



Artificial Intelligence For Materials Science


Artificial Intelligence For Materials Science
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Author : Yuan Cheng
language : en
Publisher: Springer Nature
Release Date : 2021-03-26

Artificial Intelligence For Materials Science written by Yuan Cheng and has been published by Springer Nature this book supported file pdf, txt, epub, kindle and other format this book has been release on 2021-03-26 with Technology & Engineering categories.


Machine learning methods have lowered the cost of exploring new structures of unknown compounds, and can be used to predict reasonable expectations and subsequently validated by experimental results. As new insights and several elaborative tools have been developed for materials science and engineering in recent years, it is an appropriate time to present a book covering recent progress in this field. Searchable and interactive databases can promote research on emerging materials. Recently, databases containing a large number of high-quality materials properties for new advanced materials discovery have been developed. These approaches are set to make a significant impact on human life and, with numerous commercial developments emerging, will become a major academic topic in the coming years. This authoritative and comprehensive book will be of interest to both existing researchers in this field as well as others in the materials science community who wish to take advantage of these powerful techniques. The book offers a global spread of authors, from USA, Canada, UK, Japan, France, Russia, China and Singapore, who are all world recognized experts in their separate areas. With content relevant to both academic and commercial points of view, and offering an accessible overview of recent progress and potential future directions, the book will interest graduate students, postgraduate researchers, and consultants and industrial engineers.



Machine Learning Accelerated Discovery Of High Transmittance In K0 5na0 5 Nbo3 Based Ceramics


Machine Learning Accelerated Discovery Of High Transmittance In K0 5na0 5 Nbo3 Based Ceramics
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Author : Bowen Ma
language : en
Publisher: OAE Publishing Inc.
Release Date : 2023-06-13

Machine Learning Accelerated Discovery Of High Transmittance In K0 5na0 5 Nbo3 Based Ceramics written by Bowen Ma and has been published by OAE Publishing Inc. this book supported file pdf, txt, epub, kindle and other format this book has been release on 2023-06-13 with Technology & Engineering categories.


High optical transmittance (T%) has always been an important indicator of transparent-ferroelectric ceramics for optoelectronic coupling. However, the pathway of pursuing high transparency has been at the experimental trial-and-error stage over the past decades, manifesting major drawbacks of being time-consuming and resource-wasting. The present work introduces a machine learning (ML) accelerated development of highly transparent-ferroelectrics by taking potassium-sodium niobate (KNN)-based ceramics as the model material. It is highlighted that by using a small data set of 118 sample data and four key features, we predict the T% of un-synthesized KNN-based ceramics and evaluate the importance of key features. Meanwhile, the screened (K0.5Na0.5)0.956Tb0.004Ba0.04NbO3 ceramics were successfully realized by the conventional solid-state synthesis, and the experimental measured T% is in full agreement with the predicted results, exhibiting a satisfactory high T% of ~78% at 800 nm. In addition, ML is also used to explore the best experimental parameters, and the prediction results of T% are particularly sensitive to changes in sintering temperature (ST). Eventually, the predicted optimal ST is highly consistent with the experimental one. This study constructs a new avenue for exploring high T% ferroelectric KNN ceramics based on ML, ascertaining optimal process parameters, and guiding the development of other transparent-ferroelectrics in optoelectronic fields.



Machine Learning For Advanced Functional Materials


Machine Learning For Advanced Functional Materials
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Author : Nirav Joshi
language : en
Publisher: Springer Nature
Release Date : 2023-05-22

Machine Learning For Advanced Functional Materials written by Nirav Joshi and has been published by Springer Nature this book supported file pdf, txt, epub, kindle and other format this book has been release on 2023-05-22 with Science categories.


This book presents recent advancements of machine learning methods and their applications in material science and nanotechnologies. It provides an introduction to the field and for those who wish to explore machine learning in modeling as well as conduct data analyses of material characteristics. The book discusses ways to enhance the material’s electrical and mechanical properties based on available regression methods for supervised learning and optimization of material attributes. In summary, the growing interest among academics and professionals in the field of machine learning methods in functional nanomaterials such as sensors, solar cells, and photocatalysis is the driving force for behind this book. This is a comprehensive scientific reference book on machine learning for advanced functional materials and provides an in-depth examination of recent achievements in material science by focusing on topical issues using machine learning methods.



Photovoltaics Beyond Silicon


Photovoltaics Beyond Silicon
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Author : Velumani Subramaniam
language : en
Publisher: Elsevier
Release Date : 2024-07-01

Photovoltaics Beyond Silicon written by Velumani Subramaniam and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2024-07-01 with Technology & Engineering categories.


Photovoltaics Beyond Silicon: Innovative Materials, Sustainable Processing Technologies, and Novel Device Structures presents the latest innovations in materials, processing and devices to produce electricity via advanced, sustainable photovoltaics technologies. The book provides an overview of the novel materials and device architectures that have been developed to optimize energy conversion efficiencies and minimize environmental impacts. Advances in technologies for harnessing solar energy are extensively discussed, with topics including materials processing, device fabrication, sustainability of materials and manufacturing, and the current state-of-the-art. Contributions from leading international experts discuss the applications, challenges and future prospects of research in this increasingly vital field, providing a valuable resource for students and researchers working in this area. - Presents a comprehensive overview and detailed discussion of solar energy technology options for sustainable energy conversion - Provides an understanding of the environmental challenges to be overcome and discusses the importance of efficient materials utilization for clean energy - Looks at how to design materials processing and optimize device fabrication, including metrics such as power-to-weight ratio, effectiveness at EOL compared to BOL, life-cycle analysis



Sustainable Materials


Sustainable Materials
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Author : Akshansh Mishra
language : en
Publisher: CRC Press
Release Date : 2024-10-25

Sustainable Materials written by Akshansh Mishra and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2024-10-25 with Computers categories.


The self-learning ability of machine learning algorithms makes the investigations more accurate and accommodates all the complex requirements. Development in neural codes can accommodate the data in all the forms such as numerical values as well as images. The techniques also review the sustainability, life-span, the energy consumption in production polymer, etc. This book addresses the design, characterization, and development of prediction analysis of sustainable polymer composites using machine learning algorithms.



Artificial Intelligence In Drug Discovery


Artificial Intelligence In Drug Discovery
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Author : Nathan Brown
language : en
Publisher: Royal Society of Chemistry
Release Date : 2020-11-12

Artificial Intelligence In Drug Discovery written by Nathan Brown and has been published by Royal Society of Chemistry this book supported file pdf, txt, epub, kindle and other format this book has been release on 2020-11-12 with Computers categories.


Artificial Intelligence in Drug Discovery aims to introduce the reader to AI and machine learning tools and techniques, and to outline specific challenges including designing new molecular structures, synthesis planning and simulation.



Energy Materials Discovery


Energy Materials Discovery
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Author : Geoffrey A. Ozin
language : en
Publisher: Royal Society of Chemistry
Release Date : 2022-06-13

Energy Materials Discovery written by Geoffrey A. Ozin and has been published by Royal Society of Chemistry this book supported file pdf, txt, epub, kindle and other format this book has been release on 2022-06-13 with Science categories.


Materials have the potential to be the centrepiece for the transition to viable renewable energy technologies and this book provides a perspective on the application of new technologies to this field as well as the broader techno-economic and social context.



Machine Learning


Machine Learning
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Author : Kevin P. Murphy
language : en
Publisher: MIT Press
Release Date : 2012-08-24

Machine Learning written by Kevin P. Murphy and has been published by MIT Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012-08-24 with Computers categories.


A comprehensive introduction to machine learning that uses probabilistic models and inference as a unifying approach. Today's Web-enabled deluge of electronic data calls for automated methods of data analysis. Machine learning provides these, developing methods that can automatically detect patterns in data and then use the uncovered patterns to predict future data. This textbook offers a comprehensive and self-contained introduction to the field of machine learning, based on a unified, probabilistic approach. The coverage combines breadth and depth, offering necessary background material on such topics as probability, optimization, and linear algebra as well as discussion of recent developments in the field, including conditional random fields, L1 regularization, and deep learning. The book is written in an informal, accessible style, complete with pseudo-code for the most important algorithms. All topics are copiously illustrated with color images and worked examples drawn from such application domains as biology, text processing, computer vision, and robotics. Rather than providing a cookbook of different heuristic methods, the book stresses a principled model-based approach, often using the language of graphical models to specify models in a concise and intuitive way. Almost all the models described have been implemented in a MATLAB software package—PMTK (probabilistic modeling toolkit)—that is freely available online. The book is suitable for upper-level undergraduates with an introductory-level college math background and beginning graduate students.