Langbeschreibung
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.
Inhaltsverzeichnis
Section I Molecular networking analyticsChapter 1 Probabilities, distributions and statistics 1.1 MECHANICS 1.1.1 Newton, Lagrange, and Hamilton 1.1.2 Wave function and uncertainty 1.1.3 Quantum Energy and Density of States 1.2 THERMODYNAMICS 1.2.1 Processes, Work, and Heat1.2.2 First, Second and Third Laws 1.2.3 Changing Conditions: Legendre Transformations 1.3 STATISTICS AND DISTRIBUTIONS 1.3.1 Maxwell-Boltzmann distribution 1.3.2 Phase space and probability distribution 1.3.3 Micro-Macro Connection