This book provides a concise description of a variety of simulation methods to model soft matter with a particular focus on polymeric systems. Along with the fundamental concepts of the theory behind the methods, a comprehensive set of examples taken from the broad pool of soft materials is included. These exemplify how, thanks to the increased computational resources nowadays available to almost any research group, computational methods have become a powerful tool to sit alongside other experimental characterizations and show their increasing relevance for the manufacturing sector. Chapters illustrate how modeling techniques can be used to aid interpretation of experimental data, and how experiments can be used to parameterize models.
Bringing together all these modeling approaches and applications into one coherent volume,
Computational Methods for the Multiscale Modeling of Soft Matter provides a one-stop resource that is written primarily for postgraduate students and researchers in materials science, computational physics, and chemists and chemical engineers interested in learning about simulation methods for soft materials such as polymers, surfactants, and colloids.
This is the first volume to publish in Elsevier's
Methods in Molecular and Materials Modelling book series, curated by Sir Richard Catlow.
- Introduces the theoretical underpinnings of a broad range of soft matter modeling techniques
- Demonstrates the critical assessment of the strengths and weaknesses of each of the techniques, including comparisons with experimental data when possible
- Provides example applications to guide the reader through how techniques can be used in practice
