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The book builds on the analogy between social groups and assemblies of molecules to introduce the concepts of statistical mechanics, machine learning and data science. Applying a data analytics approach to molecular systems, we show how individual (molecular) features and interactions between molecules, or "communication" processes, allow for the prediction of properties and collective behavior of molecular systems - just as polling and social networking shed light on the behavior of social groups. Applications to systems at the cutting-edge of research for biological, environmental, and energy applications are also presented. Key features: Draws on a data analytics approach of molecular systems. Covers hot topics such as artificial intelligence and machine learning of molecular trends. Contains applications to systems at the cutting-edge of research for biological, environmental and energy applications. Discusses molecular simulation and links with other important, emerging techniques and trends in computational sciences and society. Authors have a well-established track record and reputation in the field.
Tells of the lifelong fight of Myra Gaines against all New Orleans to regain the name and the fortune of which she had been robbed. It begins in the early 19th century when Myra finds out her parents are really Daniel Clark, merchant prince, and a mysterious Creole woman named Zulime.
The book builds on the analogy between social groups and assemblies of molecules to introduce the concepts of statistical mechanics, machine learning and data science. Applying a data analytics approach to molecular systems, we show how individual (molecular) features and interactions between molecules, or "communication" processes, allow for the prediction of properties and collective behavior of molecular systems - just as polling and social networking shed light on the behavior of social groups. Applications to systems at the cutting-edge of research for biological, environmental, and energy applications are also presented. Key features: Draws on a data analytics approach of molecular systems Covers hot topics such as artificial intelligence and machine learning of molecular trends Contains applications to systems at the cutting-edge of research for biological, environmental and energy applications Discusses molecular simulation and links with other important, emerging techniques and trends in computational sciences and society Authors have a well-established track record and reputation in the field
A Mole of Chemistry: An Historical and Conceptual Approach to Fundamental Ideas in Chemistry is intended for students in their undergraduate years who need to learn the basics of chemistry, including science and engineering as well as humanities. This is a companion textbook which provides a unique perspective on how the main scientific concepts describing nature were discovered and, eventually, how modern chemistry was born. The book makes use of context found in history, philosophy and the arts to better understand their developments, and with as few mathematical equations as possible. The focus is then set on scientific reasoning, making this book a great companion and addition to traditi...