Publication: June 2025.
A brief presentation of the book
This book provides a rigorous guideline through the intricacies of modelling complex molecular systems using multiple resolutions. In particular, it addresses master and PhD students who wish to approach the field in a systematic manner.
First, the book recaps some of the basics of classical and statistical mechanics, as well as the fundaments of molecular modelling. Then, it progresses with describing statistical mechanical approaches to the structure of fluids, which lead to the definition of the fundamental principles of coarse graining.
The book proceeds by exposing some of the state-of-the-art methodologies in coarse graining and concludes by reviewing some of the most popular multi-resolution approaches in use today.
For more information, see Theoretical Foundations of Multiscale Modelling - 1st Edition (external website).
Authors
Michele Cascella, Department of Chemistry and Hylleraas Centre for Quantum Molecular Sciences, University of Oslo, Norway.
Raffaello Potestio, Department of Physics, University of Trento, Italy.