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Simulation-Based Engineering and Science (SBE&S) cuts across disciplines, showing tremendous promise in areas from storm prediction and climate modeling to understanding the brain and the behavior of numerous other complex systems.In this groundbreaking volume, nine distinguished leaders assess the latest research trends, as a result of 52 site visits in Europe and Asia and hundreds of hours of expert interviews, and discuss the implications of their findings for the US government.The authors conclude that while the US remains the quantitative leader in SBE&S research and development, it is very much in danger of losing that edge to Europe and Asia.Commissioned by the National Science Founda...
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Faculties, publications and doctoral theses in departments or divisions of chemistry, chemical engineering, biochemistry and pharmaceutical and/or medicinal chemistry at universities in the United States and Canada.
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
Volume 109 in the prestigious Advances in Chemical Physics Series, edited by Nobel Prize winner Ilya Prigogine, and renowned authority Stuart A. Rice, continues to report recent advances in every area of the discipline. Significant, up-to-date chapters by internationally recognized researchers present comprehensive analyses of subjects of interest and encourage the expression of individual points of view. This approach to presenting an overview of a subject will both stimulate new research and serve as a personalized learning text for beginners in the field.