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Markov State Models (MSM) sind der Goldstandard zur Modellierung biomolekularer Dynamik, da sie die Identifizierung und Analyse metastabiler Zustände ermöglichen. Die robuste Perron-Cluster-Cluster-Analyse (PCCA+) ist ein verbreiteter Spectral-Clustering-Algorithmus, der für das Clustering hochdimensionaler MSM verwendet wird. Da die PCCA+ auf reversible Prozesse beschränkt ist, wird sie zur Generalisierten PCCA+ (G-PCCA) verallgemeinert, die geeignet ist, nichtreversible Prozesse aufzuklären. Bernhard Reuter untersucht hier mittels G-PCCA die nichtthermischen Auswirkungen von Mikrowellen auf die Proteindynamik. Dazu führt er molekulardynamische Nichtgleichgewichtssimulationen des Amyloid-β-(1–40)-Peptids durch und modelliert diese.
This book promotes the use of mathematical optimization and operations research methods in rail transportation. The editors assembled thirteen contributions from leading scholars to present a unified voice, standardize terminology, and assess the state-of-the-art.
There are three main clusters of articles, corresponding to the classical stages of the planning process: strategic, tactical, and operational. These three clusters are further subdivided into five parts which correspond to the main phases of the railway network planning process: network assessment, capacity planning, timetabling, resource planning, and operational planning. Individual chapters cover:
Simulation
Capacity Assessment
Network Design
Train Routing
Robust Timetabling
Event Scheduling
Track Allocation
Blocking
Shunting
Rolling Stock
Crew Scheduling
Dispatching
Delay Propagation
Inside Finite Elements
(2016)
All relevant implementation aspects of finite element methods are discussed in this book. The focus is on algorithms and data structures as well as on their concrete implementation. Theory is covered as far as it gives insight into the construction of algorithms.Throughout the exercises a complete FE-solver for scalar 2D problems will be implemented in Matlab/Octave.
Räume - Bilder - Kulturen
(2015)
This book is a comprehensive explanation of graph and model transformation. It contains a detailed introduction, including basic results and applications of the algebraic theory of graph transformations, and references to the historical context. Then in the main part the book contains detailed chapters on M-adhesive categories, M-adhesive transformation systems, and multi-amalgamated transformations, and model transformation based on triple graph grammars. In the final part of the book the authors examine application of the techniques in various domains, including chapters on case studies and tool support.
The book will be of interest to researchers and practitioners in the areas of theoretical computer science, software engineering, concurrent and distributed systems, and visual modelling.