Methods for adapting virtual environments to the challenges of efficient digitization strategies in synthetic chemistry

Methods for adapting virtual environments to the challenges of efficient digitization strategies in synthetic chemistry
Author: Yu-Chieh Huang
Publisher: Logos Verlag Berlin GmbH
Total Pages: 154
Release: 2020-02-04
Genre: Science
ISBN: 3832550526

In the context of this dissertation, methods were investigated that can contribute to a successful digitization strategy in experimental synthetic chemistry. Three areas were identified which could support a change in the current documentation and working methods. These are (1) the development of software for the processing of spectroscopic data and the comparison of the extracted results with the in silico predictions of the target compounds, (2) the generation of ML-based predictions for reaction control (reaction templates and reaction temperature) and (3) the automatic generation of reports from entries of an electronic laboratory journal. The work is a contribution to improve, facilitate, and accelerate scientific work in chemistry. Im Rahmen dieser Dissertation wurden Methoden untersucht, die zu einer erfolgreichen Digitalisierungsstrategie in der experimentellen synthetischen Chemie beitragen können. Es wurden drei Bereiche identifiziert, die hier insbesondere eine Veränderung der aktuellen Dokumentations- und Arbeitsweise unterstützen können. Dies sind (1) die Entwicklung von Software zur Bearbeitung von spektroskopischen Daten und dem Ableich der extrahierten Ergebnisse mit den in silico-Vorhersagen der Zielverbindungen, (2) die Generierung von ML-basierten Vorhersagen für die Reaktionsführung (Reaktionstemplates und Reaktionstemperatur) und (3) die automatische Erstellung von Berichten aus Einträgen eines elektronischen Laborjournals. Die entwickelten Modelle werden jeweils diskutiert und analysiert.

Teaching and Learning in Digital World

Teaching and Learning in Digital World
Author: Mercè Gisbert
Publisher: PUBLICACIONS UNIVERSITAT ROVIRA I VIRGILI
Total Pages: 212
Release: 2015-06-11
Genre: Education
ISBN: 8484243761

Many reports over the last few years have analysed the potential use of games, videogames, 3D environments and virtual reality for educational purposes. Numerous emerging technological devices have also appeared that will play important roles in the development of teaching and learning processes. In the context of these developments, learning rather than teaching becomes the main axis in the organisation of the educational process. This process has now gone beyond the analogue world and face-toface education to enter the digital world, where new learning environments are being produced with ever greater doses of realism. Teaching and Learning in Digital Worlds examines the teaching and learning process in 3D virtual environments from both the theoretical and practical points of view.

Virtual Reality

Virtual Reality
Author: National Research Council
Publisher: National Academies Press
Total Pages: 557
Release: 1995-01-13
Genre: Computers
ISBN: 0309051355

Despite widespread interest in virtual reality, research and development efforts in synthetic environments (SE)â€"the field encompassing virtual environments, teleoperation, and hybridsâ€"have remained fragmented. Virtual Reality is the first integrated treatment of the topic, presenting current knowledge along with thought-provoking vignettes about a future where SE is commonplace. This volume discusses all aspects of creating a system that will allow human operators to see, hear, smell, taste, move about, give commands, respond to conditions, and manipulate objects effectively in a real or virtual environment. The committee of computer scientists, engineers, and psychologists on the leading edge of SE development explores the potential applications of SE in the areas of manufacturing, medicine, education, training, scientific visualization, and teleoperation in hazardous environments. The committee also offers recommendations for development of improved SE technology, needed studies of human behavior and evaluation of SE systems, and government policy and infrastructure.

Artificial Intelligence in Healthcare

Artificial Intelligence in Healthcare
Author: Adam Bohr
Publisher: Academic Press
Total Pages: 385
Release: 2020-06-21
Genre: Computers
ISBN: 0128184396

Artificial Intelligence (AI) in Healthcare is more than a comprehensive introduction to artificial intelligence as a tool in the generation and analysis of healthcare data. The book is split into two sections where the first section describes the current healthcare challenges and the rise of AI in this arena. The ten following chapters are written by specialists in each area, covering the whole healthcare ecosystem. First, the AI applications in drug design and drug development are presented followed by its applications in the field of cancer diagnostics, treatment and medical imaging. Subsequently, the application of AI in medical devices and surgery are covered as well as remote patient monitoring. Finally, the book dives into the topics of security, privacy, information sharing, health insurances and legal aspects of AI in healthcare. - Highlights different data techniques in healthcare data analysis, including machine learning and data mining - Illustrates different applications and challenges across the design, implementation and management of intelligent systems and healthcare data networks - Includes applications and case studies across all areas of AI in healthcare data

Introduction to Reticular Chemistry

Introduction to Reticular Chemistry
Author: Omar M. Yaghi
Publisher: John Wiley & Sons
Total Pages: 742
Release: 2019-03-22
Genre: Science
ISBN: 3527821104

A concise introduction to the chemistry and design principles behind important metal-organic frameworks and related porous materials Reticular chemistry has been applied to synthesize new classes of porous materials that are successfully used for myraid applications in areas such as gas separation, catalysis, energy, and electronics. Introduction to Reticular Chemistry gives an unique overview of the principles of the chemistry behind metal-organic frameworks (MOFs), covalent organic frameworks (COFs), and zeolitic imidazolate frameworks (ZIFs). Written by one of the pioneers in the field, this book covers all important aspects of reticular chemistry, including design and synthesis, properties and characterization, as well as current and future applications Designed to be an accessible resource, the book is written in an easy-to-understand style. It includes an extensive bibliography, and offers figures and videos of crystal structures that are available as an electronic supplement. Introduction to Reticular Chemistry: -Describes the underlying principles and design elements for the synthesis of important metal-organic frameworks (MOFs) and related materials -Discusses both real-life and future applications in various fields, such as clean energy and water adsorption -Offers all graphic material on a companion website -Provides first-hand knowledge by Omar Yaghi, one of the pioneers in the field, and his team. Aimed at graduate students in chemistry, structural chemists, inorganic chemists, organic chemists, catalytic chemists, and others, Introduction to Reticular Chemistry is a groundbreaking book that explores the chemistry principles and applications of MOFs, COFs, and ZIFs.

Global Trends 2040

Global Trends 2040
Author: National Intelligence Council
Publisher: Cosimo Reports
Total Pages: 158
Release: 2021-03
Genre:
ISBN: 9781646794973

"The ongoing COVID-19 pandemic marks the most significant, singular global disruption since World War II, with health, economic, political, and security implications that will ripple for years to come." -Global Trends 2040 (2021) Global Trends 2040-A More Contested World (2021), released by the US National Intelligence Council, is the latest report in its series of reports starting in 1997 about megatrends and the world's future. This report, strongly influenced by the COVID-19 pandemic, paints a bleak picture of the future and describes a contested, fragmented and turbulent world. It specifically discusses the four main trends that will shape tomorrow's world: - Demographics-by 2040, 1.4 billion people will be added mostly in Africa and South Asia. - Economics-increased government debt and concentrated economic power will escalate problems for the poor and middleclass. - Climate-a hotter world will increase water, food, and health insecurity. - Technology-the emergence of new technologies could both solve and cause problems for human life. Students of trends, policymakers, entrepreneurs, academics, journalists and anyone eager for a glimpse into the next decades, will find this report, with colored graphs, essential reading.

Spatial Augmented Reality

Spatial Augmented Reality
Author: Oliver Bimber
Publisher: CRC Press
Total Pages: 386
Release: 2005-08-08
Genre: Computers
ISBN: 1439864942

Like virtual reality, augmented reality is becoming an emerging platform in new application areas for museums, edutainment, home entertainment, research, industry, and the art communities using novel approaches which have taken augmented reality beyond traditional eye-worn or hand-held displays. In this book, the authors discuss spatial augmented r